1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene

C48H87N — CID 142110165

IUPAC1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene
SMILESC=C(C)C(C)CCC.C=C(C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C1CCCCC1.C=CCCCC1=CCCCC1.CC(C)(C)C
InChIInChI=1S/C24H41N.C11H18.C8H16.C5H12/c1-9-21-22(24(21,7)8)20(16(2)3)15-18(6)23(25-17(4)5)19-13-11-10-12-14-19;1-2-3-5-8-11-9-6-4-7-10-11;1-5-6-8(4)7(2)3;1-5(2,3)4/h19-23,25H,2,4,6,9-15H2,1,3,5,7-8H3;2,9H,1,3-8,10H2;8H,2,5-6H2,1,3-4H3;1-4H3
InChIKeyYXSODKWRDWKNCA-UHFFFAOYSA-N
MW678.23 g/mol
LogP15.77
Rot. Bonds16

About 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene

1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene (PubChem CID 142110165) has the molecular formula C48H87N and a molecular weight of 678.23 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene.

Molecular Properties

Compound Name1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene
PubChem CID142110165
Molecular FormulaC48H87N
Molecular Weight678.23 g/mol
Exact Mass677.68
IUPAC Name1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene
SMILESC=C(C)C(C)CCC.C=C(C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C1CCCCC1.C=CCCCC1=CCCCC1.CC(C)(C)C
InChIInChI=1S/C24H41N.C11H18.C8H16.C5H12/c1-9-21-22(24(21,7)8)20(16(2)3)15-18(6)23(25-17(4)5)19-13-11-10-12-14-19;1-2-3-5-8-11-9-6-4-7-10-11;1-5-6-8(4)7(2)3;1-5(2,3)4/h19-23,25H,2,4,6,9-15H2,1,3,5,7-8H3;2,9H,1,3-8,10H2;8H,2,5-6H2,1,3-4H3;1-4H3
InChIKeyYXSODKWRDWKNCA-UHFFFAOYSA-N
XLogP15.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.23
LogP ≤ 515.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene?
The IUPAC name of 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene (CID 142110165) is 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene.
What is the SMILES notation for 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene?
The canonical SMILES for 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene is C=C(C)C(C)CCC.C=C(C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C1CCCCC1.C=CCCCC1=CCCCC1.CC(C)(C)C.
What is the InChIKey of 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene?
The InChIKey is YXSODKWRDWKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N.C11H18.C8H16.C5H12/c1-9-21-22(24(21,7)8)20(16(2)3)15-18(6)23(25-17(4)5)19-13-11-10-12-14-19;1-2-3-5-8-11-9-6-4-7-10-11;1-5-6-8(4)7(2)3;1-5(2,3)4/h19-23,25H,2,4,6,9-15H2,1,3,5,7-8H3;2,9H,1,3-8,10H2;8H,2,5-6H2,1,3-4H3;1-4H3.
What are the key properties of 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene?
1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene has a molecular weight of 678.23 g/mol, XLogP of 15.77, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene is sourced from PubChem (CID 142110165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).