N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine

C14H23N3 — CID 63318874

IUPACN-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nccc(C2CCCCC2)n1
InChIInChI=1S/C14H23N3/c1-11(2)16-10-14-15-9-8-13(17-14)12-6-4-3-5-7-12/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyDNQKTUGZDGKJDZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.02
Rot. Bonds4

About N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine

N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine (PubChem CID 63318874) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
PubChem CID63318874
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nccc(C2CCCCC2)n1
InChIInChI=1S/C14H23N3/c1-11(2)16-10-14-15-9-8-13(17-14)12-6-4-3-5-7-12/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyDNQKTUGZDGKJDZ-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine (CID 63318874) is N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine is CC(C)NCc1nccc(C2CCCCC2)n1.
What is the InChIKey of N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine?
The InChIKey is DNQKTUGZDGKJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)16-10-14-15-9-8-13(17-14)12-6-4-3-5-7-12/h8-9,11-12,16H,3-7,10H2,1-2H3.
What are the key properties of N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine?
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63318874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).