2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine

C16H27N3 — CID 81025825

IUPAC2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1c1cncnc1
InChIInChI=1S/C16H27N3/c1-13(2)8-17-9-14-6-4-3-5-7-16(14)15-10-18-12-19-11-15/h10-14,16-17H,3-9H2,1-2H3
InChIKeyLIQZNBHCJHERQN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.39
Rot. Bonds5

About 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine

2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine (PubChem CID 81025825) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
PubChem CID81025825
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1c1cncnc1
InChIInChI=1S/C16H27N3/c1-13(2)8-17-9-14-6-4-3-5-7-16(14)15-10-18-12-19-11-15/h10-14,16-17H,3-9H2,1-2H3
InChIKeyLIQZNBHCJHERQN-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
CID 115375678
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271
N-[(4-ethyl-2-pyrimidin-5-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029959
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-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
(2-pyrimidin-5-ylcycloheptyl)methanamine
CID 81010295
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667269
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine (CID 81025825) is 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine is CC(C)CNCC1CCCCCC1c1cncnc1.
What is the InChIKey of 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
The InChIKey is LIQZNBHCJHERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)8-17-9-14-6-4-3-5-7-16(14)15-10-18-12-19-11-15/h10-14,16-17H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 81025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).