2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine

C13H25N5 — CID 107044665

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Cc1nnn(C)n1
InChIInChI=1S/C13H25N5/c1-3-9-14-12-8-6-4-5-7-11(12)10-13-15-17-18(2)16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyYQZWQUBWAGGPRM-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.70
Rot. Bonds5

About 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine

2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine (PubChem CID 107044665) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
PubChem CID107044665
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Cc1nnn(C)n1
InChIInChI=1S/C13H25N5/c1-3-9-14-12-8-6-4-5-7-11(12)10-13-15-17-18(2)16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyYQZWQUBWAGGPRM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-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

Related Compounds

2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493
N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048630
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
N-[[2-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 107059327
2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483396
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
4-methyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 165497401
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine (CID 107044665) is 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1Cc1nnn(C)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is YQZWQUBWAGGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-9-14-12-8-6-4-5-7-11(12)10-13-15-17-18(2)16-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine?
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 107044665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).