[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine

C18H34N2 — CID 114462605

IUPAC[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(N2CC=C(C)CC2)C1
InChIInChI=1S/C18H34N2/c1-5-18(3,4)16-7-6-15(13-19)17(12-16)20-10-8-14(2)9-11-20/h8,15-17H,5-7,9-13,19H2,1-4H3
InChIKeyCGGVWGXJYNNSOM-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.82
Rot. Bonds4

About [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine (PubChem CID 114462605) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
PubChem CID114462605
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(N2CC=C(C)CC2)C1
InChIInChI=1S/C18H34N2/c1-5-18(3,4)16-7-6-15(13-19)17(12-16)20-10-8-14(2)9-11-20/h8,15-17H,5-7,9-13,19H2,1-4H3
InChIKeyCGGVWGXJYNNSOM-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine with MolForge

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Related Compounds

2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 102628029
[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489693
[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489699
(6S,8aS)-2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11132211
2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 23366883
N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine
CID 91120095
1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine
CID 123422100
8-ethyl-7-methyl-12-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)-N-propan-2-yltridecan-3-amine
CID 137539466
1-[6-[1-(aminomethyl)cyclohexyl]-1,2,3,6-tetrahydropyridin-3-yl]-N,N-dimethylmethanamine
CID 141896534
(3R)-2,3-diethyl-2-methyl-N-[1-(6-methylcyclohexa-1,3-dien-1-yl)butyl]cyclohexan-1-amine
CID 144167198
N,3-di(propan-2-yl)cyclohexan-1-amine;N,3-di(propan-2-yl)cyclohex-2-en-1-amine;N,3-di(propan-2-yl)cyclohex-3-en-1-amine
CID 163529001
4-propan-2-yl-N-[1-(1,4,4-trimethylcyclohexyl)ethyl]cyclohex-3-en-1-amine
CID 169661584

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine (CID 114462605) is [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(N2CC=C(C)CC2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
The InChIKey is CGGVWGXJYNNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-18(3,4)16-7-6-15(13-19)17(12-16)20-10-8-14(2)9-11-20/h8,15-17H,5-7,9-13,19H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine has a molecular weight of 278.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114462605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).