N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine

C13H21N3 — CID 63990209

IUPACN-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncn1)C1CCCC1
InChIInChI=1S/C13H21N3/c1-2-8-15-13(11-5-3-4-6-11)12-7-9-14-10-16-12/h7,9-11,13,15H,2-6,8H2,1H3
InChIKeyCKGDKAFWEGKRAW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.71
Rot. Bonds5

About N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine

N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 63990209) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
PubChem CID63990209
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncn1)C1CCCC1
InChIInChI=1S/C13H21N3/c1-2-8-15-13(11-5-3-4-6-11)12-7-9-14-10-16-12/h7,9-11,13,15H,2-6,8H2,1H3
InChIKeyCKGDKAFWEGKRAW-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
[cyclopropyl(pyrimidin-4-yl)methyl]hydrazine
CID 105220873
[(3-ethylcyclohexyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221018
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
N-[cyclopentyl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine
CID 103125844
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531004
N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
CID 63948456
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine (CID 63990209) is N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1ccncn1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is CKGDKAFWEGKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-8-15-13(11-5-3-4-6-11)12-7-9-14-10-16-12/h7,9-11,13,15H,2-6,8H2,1H3.
What are the key properties of N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine?
N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63990209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).