1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine

C13H23N5 — CID 39998271

IUPAC1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1nnnn1C1CC1)CC1CCCCC1
InChIInChI=1S/C13H23N5/c1-17(9-11-5-3-2-4-6-11)10-13-14-15-16-18(13)12-7-8-12/h11-12H,2-10H2,1H3
InChIKeyFPCUGIMQXQBABL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.02
Rot. Bonds5

About 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine

1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine (PubChem CID 39998271) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine
PubChem CID39998271
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1nnnn1C1CC1)CC1CCCCC1
InChIInChI=1S/C13H23N5/c1-17(9-11-5-3-2-4-6-11)10-13-14-15-16-18(13)12-7-8-12/h11-12H,2-10H2,1H3
InChIKeyFPCUGIMQXQBABL-UHFFFAOYSA-N
XLogP2.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine 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 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine (CID 39998271) is 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine is CN(Cc1nnnn1C1CC1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine?
The InChIKey is FPCUGIMQXQBABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17(9-11-5-3-2-4-6-11)10-13-14-15-16-18(13)12-7-8-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine?
1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 39998271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).