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

C17H32N2 — CID 114462585

IUPAC[4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
SMILESCC1=CCN(C2CC(C(C)(C)C)CCC2CN)CC1
InChIInChI=1S/C17H32N2/c1-13-7-9-19(10-8-13)16-11-15(17(2,3)4)6-5-14(16)12-18/h7,14-16H,5-6,8-12,18H2,1-4H3
InChIKeySRZGROOWCKMRDY-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.43
Rot. Bonds2

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

[4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine (PubChem CID 114462585) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
PubChem CID114462585
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name[4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
SMILESCC1=CCN(C2CC(C(C)(C)C)CCC2CN)CC1
InChIInChI=1S/C17H32N2/c1-13-7-9-19(10-8-13)16-11-15(17(2,3)4)6-5-14(16)12-18/h7,14-16H,5-6,8-12,18H2,1-4H3
InChIKeySRZGROOWCKMRDY-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine (CID 114462585) is [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine is CC1=CCN(C2CC(C(C)(C)C)CCC2CN)CC1.
What is the InChIKey of [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
The InChIKey is SRZGROOWCKMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-7-9-19(10-8-13)16-11-15(17(2,3)4)6-5-14(16)12-18/h7,14-16H,5-6,8-12,18H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine?
[4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine has a molecular weight of 264.46 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114462585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).