N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine

C14H20N6 — CID 62977216

IUPACN'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCNCc1nnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C14H20N6/c1-19(12-7-8-12)10-9-15-11-14-16-17-18-20(14)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyQBYPYXHSJYXOIL-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.85
Rot. Bonds7

About N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 62977216) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID62977216
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCNCc1nnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C14H20N6/c1-19(12-7-8-12)10-9-15-11-14-16-17-18-20(14)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyQBYPYXHSJYXOIL-UHFFFAOYSA-N
XLogP0.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine (CID 62977216) is N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine is CN(CCNCc1nnnn1-c1ccccc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is QBYPYXHSJYXOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19(12-7-8-12)10-9-15-11-14-16-17-18-20(14)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62977216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).