2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine

C16H30N2 — CID 106314944

IUPAC2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1=CCCN(CC2CCC(N)C(C)C2(C)C)C1
InChIInChI=1S/C16H30N2/c1-12-6-5-9-18(10-12)11-14-7-8-15(17)13(2)16(14,3)4/h6,13-15H,5,7-11,17H2,1-4H3
InChIKeyVMRWIECBZUBPJE-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.04
Rot. Bonds2

About 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 106314944) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
PubChem CID106314944
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1=CCCN(CC2CCC(N)C(C)C2(C)C)C1
InChIInChI=1S/C16H30N2/c1-12-6-5-9-18(10-12)11-14-7-8-15(17)13(2)16(14,3)4/h6,13-15H,5,7-11,17H2,1-4H3
InChIKeyVMRWIECBZUBPJE-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Halichonine B
CID 56834630
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[(1R,2R,3R,5S)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine
CID 16076557
2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 102628029
4-[[4-[[(4R)-4-isopropenylcyclohexen-1-yl]methylamino]-2-methyl-cyclohexyl]methyl]-3-methyl-cyclohexanamine
CID 6480538
3-methyl-4-[[2-methyl-4-[[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]cyclohexyl]methyl]cyclohexanamine
CID 6483670
(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
CID 10878762
(6S,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
CID 11009568
(6S,8aS)-2-dodecyl-N,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11025220
(6S,8aS)-2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11132211
(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
2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 23366883

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine (CID 106314944) is 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine is CC1=CCCN(CC2CCC(N)C(C)C2(C)C)C1.
What is the InChIKey of 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is VMRWIECBZUBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-6-5-9-18(10-12)11-14-7-8-15(17)13(2)16(14,3)4/h6,13-15H,5,7-11,17H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).