1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine

C16H26N2 — CID 79745798

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine
SMILESCCc1ccc(CC2(N)CCCC(C)CC2)nc1
InChIInChI=1S/C16H26N2/c1-3-14-6-7-15(18-12-14)11-16(17)9-4-5-13(2)8-10-16/h6-7,12-13H,3-5,8-11,17H2,1-2H3
InChIKeyCIHLVBPZBIUJLY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.48
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine

1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 79745798) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID79745798
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine
SMILESCCc1ccc(CC2(N)CCCC(C)CC2)nc1
InChIInChI=1S/C16H26N2/c1-3-14-6-7-15(18-12-14)11-16(17)9-4-5-13(2)8-10-16/h6-7,12-13H,3-5,8-11,17H2,1-2H3
InChIKeyCIHLVBPZBIUJLY-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-ethyl-2-pyridinyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79745795
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 79740612
1-[(5-ethyl-2-pyridinyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79746172
1-[(5-ethyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 79745461
1-[(5-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80692076
1-[(5-ethyl-2-pyridinyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79745148
3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
CID 112567654
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79740505
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116768070

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine (CID 79745798) is 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine is CCc1ccc(CC2(N)CCCC(C)CC2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is CIHLVBPZBIUJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-6-7-15(18-12-14)11-16(17)9-4-5-13(2)8-10-16/h6-7,12-13H,3-5,8-11,17H2,1-2H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine?
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 79745798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).