2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine

C18H30N2 — CID 115375678

IUPAC2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
SMILESCc1cncc(C2CCCCCC2CNCC(C)C)c1
InChIInChI=1S/C18H30N2/c1-14(2)10-19-12-16-7-5-4-6-8-18(16)17-9-15(3)11-20-13-17/h9,11,13-14,16,18-19H,4-8,10,12H2,1-3H3
InChIKeyGXYLEQYCYMPLML-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.30
Rot. Bonds5

About 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine

2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 115375678) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
PubChem CID115375678
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
SMILESCc1cncc(C2CCCCCC2CNCC(C)C)c1
InChIInChI=1S/C18H30N2/c1-14(2)10-19-12-16-7-5-4-6-8-18(16)17-9-15(3)11-20-13-17/h9,11,13-14,16,18-19H,4-8,10,12H2,1-3H3
InChIKeyGXYLEQYCYMPLML-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271
2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81025825
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]cyclopropanamine
CID 115375676
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895
N-methyl-2-(5-methyl-3-pyridinyl)cycloheptan-1-amine
CID 115375197
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine (CID 115375678) is 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine is Cc1cncc(C2CCCCCC2CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is GXYLEQYCYMPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)10-19-12-16-7-5-4-6-8-18(16)17-9-15(3)11-20-13-17/h9,11,13-14,16,18-19H,4-8,10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 115375678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).