N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine

C13H25N5 — CID 100666541

IUPACN,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnnn2C(C)C)CC1
InChIInChI=1S/C13H25N5/c1-10(2)18-13(14-15-16-18)9-17(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyUDEYRFOJKSZPHO-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.26
Rot. Bonds4

About N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine

N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 100666541) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID100666541
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnnn2C(C)C)CC1
InChIInChI=1S/C13H25N5/c1-10(2)18-13(14-15-16-18)9-17(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyUDEYRFOJKSZPHO-UHFFFAOYSA-N
XLogP2.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-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 N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 100666541) is N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine is CC1CCC(N(C)Cc2nnnn2C(C)C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is UDEYRFOJKSZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(2)18-13(14-15-16-18)9-17(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 100666541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).