3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine

C11H21N5 — CID 84688704

IUPAC3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1CC1CCCCC1
InChIInChI=1S/C11H21N5/c12-8-4-7-11-13-14-15-16(11)9-10-5-2-1-3-6-10/h10H,1-9,12H2
InChIKeyXERAPVSJDYDKOA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds5

About 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine

3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine (PubChem CID 84688704) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine
PubChem CID84688704
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1CC1CCCCC1
InChIInChI=1S/C11H21N5/c12-8-4-7-11-13-14-15-16(11)9-10-5-2-1-3-6-10/h10H,1-9,12H2
InChIKeyXERAPVSJDYDKOA-UHFFFAOYSA-N
XLogP1.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine 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 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine (CID 84688704) is 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine is NCCCc1nnnn1CC1CCCCC1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is XERAPVSJDYDKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c12-8-4-7-11-13-14-15-16(11)9-10-5-2-1-3-6-10/h10H,1-9,12H2.
What are the key properties of 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine?
3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 84688704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).