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

C15H25N3 — CID 81026587

IUPACN-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1c1cncnc1
InChIInChI=1S/C15H25N3/c1-2-8-16-9-13-6-4-3-5-7-15(13)14-10-17-12-18-11-14/h10-13,15-16H,2-9H2,1H3
InChIKeyZXGIUJSHQHFGJN-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.14
Rot. Bonds5

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

N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine (PubChem CID 81026587) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
PubChem CID81026587
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1c1cncnc1
InChIInChI=1S/C15H25N3/c1-2-8-16-9-13-6-4-3-5-7-15(13)14-10-17-12-18-11-14/h10-13,15-16H,2-9H2,1H3
InChIKeyZXGIUJSHQHFGJN-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81025825
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
(2-pyrimidin-5-ylcycloheptyl)methanamine
CID 81010295
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine
CID 112747638
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 113447373
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine (CID 81026587) is N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine is CCCNCC1CCCCCC1c1cncnc1.
What is the InChIKey of N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
The InChIKey is ZXGIUJSHQHFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-8-16-9-13-6-4-3-5-7-15(13)14-10-17-12-18-11-14/h10-13,15-16H,2-9H2,1H3.
What are the key properties of N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine?
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 81026587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).