4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine

C16H26N2 — CID 81405525

IUPAC4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(N[C@@H](C)c2ccncc2)CC1
InChIInChI=1S/C16H26N2/c1-12(2)14-4-6-16(7-5-14)18-13(3)15-8-10-17-11-9-15/h8-14,16,18H,4-7H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyUXLYPYFNYIPIPR-HLIUYOAVSA-N
MW246.40 g/mol
LogP3.95
Rot. Bonds4

About 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine

4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine (PubChem CID 81405525) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
PubChem CID81405525
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(N[C@@H](C)c2ccncc2)CC1
InChIInChI=1S/C16H26N2/c1-12(2)14-4-6-16(7-5-14)18-13(3)15-8-10-17-11-9-15/h8-14,16,18H,4-7H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyUXLYPYFNYIPIPR-HLIUYOAVSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 29054019
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine (CID 81405525) is 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine is CC(C)C1CCC(N[C@@H](C)c2ccncc2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
The InChIKey is UXLYPYFNYIPIPR-HLIUYOAVSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-4-6-16(7-5-14)18-13(3)15-8-10-17-11-9-15/h8-14,16,18H,4-7H2,1-3H3/t13-,14?,16?/m0/s1.
What are the key properties of 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81405525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).