4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine

C15H28N2 — CID 102628026

IUPAC4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CC=CCC2)C1(C)C
InChIInChI=1S/C15H28N2/c1-12-14(16)8-7-13(15(12,2)3)11-17-9-5-4-6-10-17/h4-5,12-14H,6-11,16H2,1-3H3
InChIKeyJCODDQYFJHXCLG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.65
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine

4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102628026) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102628026
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CC=CCC2)C1(C)C
InChIInChI=1S/C15H28N2/c1-12-14(16)8-7-13(15(12,2)3)11-17-9-5-4-6-10-17/h4-5,12-14H,6-11,16H2,1-3H3
InChIKeyJCODDQYFJHXCLG-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.65
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
(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 22867708
(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 22867714
1-N-butan-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,8-diamine
CID 89636901
8-N-butan-2-yl-8-N-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,8-diamine
CID 89637061
3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine
CID 138598747
(5S)-N-butyl-4-methyl-5-[[1-methyl-4,4-bis[(9Z,12Z)-octadeca-9,12-dienyl]cyclohexyl]methyl]-2-pentylcyclohexan-1-amine
CID 139380677
1-[6-[1-(aminomethyl)cyclohexyl]-1,2,3,6-tetrahydropyridin-3-yl]-N,N-dimethylmethanamine
CID 141896534
3,7,8-trimethyl-N-propylbicyclo[2.2.2]oct-5-en-2-amine
CID 170385574
N-[(4-aminocyclopent-2-en-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80229410
N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine
CID 81321296
2,3,3-Trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine
CID 102627979

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine (CID 102628026) is 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN2CC=CCC2)C1(C)C.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is JCODDQYFJHXCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-14(16)8-7-13(15(12,2)3)11-17-9-5-4-6-10-17/h4-5,12-14H,6-11,16H2,1-3H3.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102628026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).