5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine

C46H86N2 — CID 143357838

IUPAC5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)C1C(C(=C)C(C)C(C)(C)C)CC2C1C2(C)C.C=C(C)CC.C=C(C)NC(C)CC.C=C(N)C(=C)C(C)CC1CC1.CC(C)(C)C
InChIInChI=1S/C19H32.C10H17N.C7H15N.C5H12.C5H10/c1-11(2)16-14(10-15-17(16)19(15,8)9)12(3)13(4)18(5,6)7;1-7(6-10-4-5-10)8(2)9(3)11;1-5-7(4)8-6(2)3;1-5(2,3)4;1-4-5(2)3/h13-17H,1,3,10H2,2,4-9H3;7,10H,2-6,11H2,1H3;7-8H,2,5H2,1,3-4H3;1-4H3;2,4H2,1,3H3
InChIKeyFVVQOXLCBGVLJY-UHFFFAOYSA-N
MW667.21 g/mol
LogP14.09
Rot. Bonds11

About 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine

5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine (PubChem CID 143357838) has the molecular formula C46H86N2 and a molecular weight of 667.21 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine
PubChem CID143357838
Molecular FormulaC46H86N2
Molecular Weight667.21 g/mol
Exact Mass666.68
IUPAC Name5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)C1C(C(=C)C(C)C(C)(C)C)CC2C1C2(C)C.C=C(C)CC.C=C(C)NC(C)CC.C=C(N)C(=C)C(C)CC1CC1.CC(C)(C)C
InChIInChI=1S/C19H32.C10H17N.C7H15N.C5H12.C5H10/c1-11(2)16-14(10-15-17(16)19(15,8)9)12(3)13(4)18(5,6)7;1-7(6-10-4-5-10)8(2)9(3)11;1-5-7(4)8-6(2)3;1-5(2,3)4;1-4-5(2)3/h13-17H,1,3,10H2,2,4-9H3;7,10H,2-6,11H2,1H3;7-8H,2,5H2,1,3-4H3;1-4H3;2,4H2,1,3H3
InChIKeyFVVQOXLCBGVLJY-UHFFFAOYSA-N
XLogP14.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.21
LogP ≤ 514.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine?
The IUPAC name of 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine (CID 143357838) is 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine.
What is the SMILES notation for 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine?
The canonical SMILES for 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine is C=C(C)C1C(C(=C)C(C)C(C)(C)C)CC2C1C2(C)C.C=C(C)CC.C=C(C)NC(C)CC.C=C(N)C(=C)C(C)CC1CC1.CC(C)(C)C.
What is the InChIKey of 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine?
The InChIKey is FVVQOXLCBGVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32.C10H17N.C7H15N.C5H12.C5H10/c1-11(2)16-14(10-15-17(16)19(15,8)9)12(3)13(4)18(5,6)7;1-7(6-10-4-5-10)8(2)9(3)11;1-5-7(4)8-6(2)3;1-5(2,3)4;1-4-5(2)3/h13-17H,1,3,10H2,2,4-9H3;7,10H,2-6,11H2,1H3;7-8H,2,5H2,1,3-4H3;1-4H3;2,4H2,1,3H3.
What are the key properties of 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine?
5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 667.21 g/mol, XLogP of 14.09, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;2,2-dimethylpropane;6,6-dimethyl-2-prop-1-en-2-yl-3-(3,4,4-trimethylpent-1-en-2-yl)bicyclo[3.1.0]hexane;2-methylbut-1-ene;N-prop-1-en-2-ylbutan-2-amine is sourced from PubChem (CID 143357838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).