(2-pyrimidin-5-ylcycloheptyl)methanamine

C12H19N3 — CID 81010295

IUPAC(2-pyrimidin-5-ylcycloheptyl)methanamine
SMILESNCC1CCCCCC1c1cncnc1
InChIInChI=1S/C12H19N3/c13-6-10-4-2-1-3-5-12(10)11-7-14-9-15-8-11/h7-10,12H,1-6,13H2
InChIKeyOVDUBGGSOHGURC-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.10
Rot. Bonds2

About (2-pyrimidin-5-ylcycloheptyl)methanamine

(2-pyrimidin-5-ylcycloheptyl)methanamine (PubChem CID 81010295) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (2-pyrimidin-5-ylcycloheptyl)methanamine.

Molecular Properties

Compound Name(2-pyrimidin-5-ylcycloheptyl)methanamine
PubChem CID81010295
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(2-pyrimidin-5-ylcycloheptyl)methanamine
SMILESNCC1CCCCCC1c1cncnc1
InChIInChI=1S/C12H19N3/c13-6-10-4-2-1-3-5-12(10)11-7-14-9-15-8-11/h7-10,12H,1-6,13H2
InChIKeyOVDUBGGSOHGURC-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-pyrimidin-5-ylcycloheptyl)methanamine 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 (2-pyrimidin-5-ylcycloheptyl)methanamine?
The IUPAC name of (2-pyrimidin-5-ylcycloheptyl)methanamine (CID 81010295) is (2-pyrimidin-5-ylcycloheptyl)methanamine.
What is the SMILES notation for (2-pyrimidin-5-ylcycloheptyl)methanamine?
The canonical SMILES for (2-pyrimidin-5-ylcycloheptyl)methanamine is NCC1CCCCCC1c1cncnc1.
What is the InChIKey of (2-pyrimidin-5-ylcycloheptyl)methanamine?
The InChIKey is OVDUBGGSOHGURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-6-10-4-2-1-3-5-12(10)11-7-14-9-15-8-11/h7-10,12H,1-6,13H2.
What are the key properties of (2-pyrimidin-5-ylcycloheptyl)methanamine?
(2-pyrimidin-5-ylcycloheptyl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-5-ylcycloheptyl)methanamine is sourced from PubChem (CID 81010295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).