4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine

C18H30N2 — CID 29054019

IUPAC4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N[C@H](C)c2ccncc2)CC1
InChIInChI=1S/C18H30N2/c1-5-18(3,4)16-6-8-17(9-7-16)20-14(2)15-10-12-19-13-11-15/h10-14,16-17,20H,5-9H2,1-4H3/t14-,16?,17?/m1/s1
InChIKeyYRAJZALLQQEQHN-ODIFPOPNSA-N
MW274.45 g/mol
LogP4.73
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine (PubChem CID 29054019) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
PubChem CID29054019
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N[C@H](C)c2ccncc2)CC1
InChIInChI=1S/C18H30N2/c1-5-18(3,4)16-6-8-17(9-7-16)20-14(2)15-10-12-19-13-11-15/h10-14,16-17,20H,5-9H2,1-4H3/t14-,16?,17?/m1/s1
InChIKeyYRAJZALLQQEQHN-ODIFPOPNSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine (CID 29054019) is 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(N[C@H](C)c2ccncc2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
The InChIKey is YRAJZALLQQEQHN-ODIFPOPNSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18(3,4)16-6-8-17(9-7-16)20-14(2)15-10-12-19-13-11-15/h10-14,16-17,20H,5-9H2,1-4H3/t14-,16?,17?/m1/s1.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 29054019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).