(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine

C16H26N2 — CID 115374663

IUPAC(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCc1cncc(C(N)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2/c1-11(2)13-4-6-14(7-5-13)16(17)15-8-12(3)9-18-10-15/h8-11,13-14,16H,4-7,17H2,1-3H3
InChIKeyVRAHLJFZJHMNPC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.85
Rot. Bonds3

About (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine

(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 115374663) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID115374663
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCc1cncc(C(N)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2/c1-11(2)13-4-6-14(7-5-13)16(17)15-8-12(3)9-18-10-15/h8-11,13-14,16H,4-7,17H2,1-3H3
InChIKeyVRAHLJFZJHMNPC-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino(cyclopropyl)methyl]pyridin-3-amine
CID 55292052
(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 105151254
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693
[cyclopropyl-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105202421
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
(R)-cyclopropyl-[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 124518707
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
5-[(R)-amino(cyclopropyl)methyl]pyridine-3-carboxamide
CID 55275088
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
[cyclopentyl-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105204323
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine (CID 115374663) is (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine is Cc1cncc(C(N)C2CCC(C(C)C)CC2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is VRAHLJFZJHMNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(2)13-4-6-14(7-5-13)16(17)15-8-12(3)9-18-10-15/h8-11,13-14,16H,4-7,17H2,1-3H3.
What are the key properties of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine?
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 115374663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).