N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine

C20H37N — CID 68302295

IUPACN-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESCC1C=C(CCC1C(C)C(C)CN(C(=C)C)C(C)(C)C)C
InChIInChI=1S/C20H37N/c1-14(2)21(20(7,8)9)13-17(5)18(6)19-11-10-15(3)12-16(19)4/h12,16-19H,1,10-11,13H2,2-9H3
InChIKeyPBXZVQYAMHXNKJ-UHFFFAOYSA-N
MW291.50 g/mol
LogP6.10
Rot. Bonds6

About N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine

N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 68302295) has the molecular formula C20H37N and a molecular weight of 291.50 g/mol. Its IUPAC name is N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID68302295
Molecular FormulaC20H37N
Molecular Weight291.50 g/mol
Exact Mass291.29
IUPAC NameN-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESCC1C=C(CCC1C(C)C(C)CN(C(=C)C)C(C)(C)C)C
InChIInChI=1S/C20H37N/c1-14(2)21(20(7,8)9)13-17(5)18(6)19-11-10-15(3)12-16(19)4/h12,16-19H,1,10-11,13H2,2-9H3
InChIKeyPBXZVQYAMHXNKJ-UHFFFAOYSA-N
XLogP6.10
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity385

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 11117679
N,N-diethyl-4-[2-(2-fluorocyclohex-3-en-1-yl)ethyl]cyclohexen-1-amine
CID 89985331
N-[2-(4-fluoro-9,9-dimethylcyclononen-1-yl)ethyl]-N,3,5,5,6-pentamethyl-4-(3,7,8-trimethylnonan-2-yl)cyclohexa-1,3-dien-1-amine
CID 124035592
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
2,3-Dihydro-2-azasqualene
CID 129725423
1-[(6R)-6-propan-2-ylcyclohexen-1-yl]pyrrolidine
CID 134863432
N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070130
(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine
CID 18717522
N,N-dimethyl-N-[3-(4-methyl-3-cyclohexenyl)butyl]amine
CID 20223266
1-(4-Pentylcyclohexen-1-yl)pyrrolidine
CID 20450679
3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
CID 20872167
N,N-diethyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
CID 21427791

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 68302295) is N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine is CC1C=C(CCC1C(C)C(C)CN(C(=C)C)C(C)(C)C)C.
What is the InChIKey of N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is PBXZVQYAMHXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-14(2)21(20(7,8)9)13-17(5)18(6)19-11-10-15(3)12-16(19)4/h12,16-19H,1,10-11,13H2,2-9H3.
What are the key properties of N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 68302295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).