N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine

C13H25N5 — CID 114130100

IUPACN-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC1CCCC(Cn2nnnc2CNC(C)C)C1
InChIInChI=1S/C13H25N5/c1-10(2)14-8-13-15-16-17-18(13)9-12-6-4-5-11(3)7-12/h10-12,14H,4-9H2,1-3H3
InChIKeyIXHHDWGVSXQYAS-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.00
Rot. Bonds5

About N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine

N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 114130100) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID114130100
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC1CCCC(Cn2nnnc2CNC(C)C)C1
InChIInChI=1S/C13H25N5/c1-10(2)14-8-13-15-16-17-18(13)9-12-6-4-5-11(3)7-12/h10-12,14H,4-9H2,1-3H3
InChIKeyIXHHDWGVSXQYAS-UHFFFAOYSA-N
XLogP2.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-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 N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (CID 114130100) is N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is CC1CCCC(Cn2nnnc2CNC(C)C)C1.
What is the InChIKey of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is IXHHDWGVSXQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(2)14-8-13-15-16-17-18(13)9-12-6-4-5-11(3)7-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 251.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114130100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).