2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine

C16H26N2 — CID 81401371

IUPAC2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1N[C@H](C)c1ccccn1
InChIInChI=1S/C16H26N2/c1-12-11-16(3,4)9-8-14(12)18-13(2)15-7-5-6-10-17-15/h5-7,10,12-14,18H,8-9,11H2,1-4H3/t12?,13-,14?/m1/s1
InChIKeyUQUNLMZVUYWOQN-ROKHWSDSSA-N
MW246.40 g/mol
LogP3.95
Rot. Bonds3

About 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine (PubChem CID 81401371) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
PubChem CID81401371
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1N[C@H](C)c1ccccn1
InChIInChI=1S/C16H26N2/c1-12-11-16(3,4)9-8-14(12)18-13(2)15-7-5-6-10-17-15/h5-7,10,12-14,18H,8-9,11H2,1-4H3/t12?,13-,14?/m1/s1
InChIKeyUQUNLMZVUYWOQN-ROKHWSDSSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64908416
N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
3,4-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81399472
3,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401419
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322
2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine
CID 81320891

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine (CID 81401371) is 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine is CC1CC(C)(C)CCC1N[C@H](C)c1ccccn1.
What is the InChIKey of 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The InChIKey is UQUNLMZVUYWOQN-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-11-16(3,4)9-8-14(12)18-13(2)15-7-5-6-10-17-15/h5-7,10,12-14,18H,8-9,11H2,1-4H3/t12?,13-,14?/m1/s1.
What are the key properties of 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81401371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).