N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine

C16H25N3 — CID 65399678

IUPACN-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H25N3/c1-12-10-15(11-17-14-8-9-14)19-16(18-12)13-6-4-2-3-5-7-13/h10,13-14,17H,2-9,11H2,1H3
InChIKeyLXBDPRRLRZYBLE-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.47
Rot. Bonds4

About N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine

N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 65399678) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID65399678
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H25N3/c1-12-10-15(11-17-14-8-9-14)19-16(18-12)13-6-4-2-3-5-7-13/h10,13-14,17H,2-9,11H2,1H3
InChIKeyLXBDPRRLRZYBLE-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine (CID 65399678) is N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(C2CCCCCC2)n1.
What is the InChIKey of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is LXBDPRRLRZYBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-10-15(11-17-14-8-9-14)19-16(18-12)13-6-4-2-3-5-7-13/h10,13-14,17H,2-9,11H2,1H3.
What are the key properties of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65399678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).