N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

C14H19N5 — CID 86922257

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C14H19N5/c1-11-3-5-12(6-4-11)9-18(2)10-14-15-16-17-19(14)13-7-8-13/h3-6,13H,7-10H2,1-2H3
InChIKeyMXAIJBIJPZIZRV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds5

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 86922257) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID86922257
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C14H19N5/c1-11-3-5-12(6-4-11)9-18(2)10-14-15-16-17-19(14)13-7-8-13/h3-6,13H,7-10H2,1-2H3
InChIKeyMXAIJBIJPZIZRV-UHFFFAOYSA-N
XLogP1.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine 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

4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34646019
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304
(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 94173205
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200443
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464110
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86826034
N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
CID 86922267
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1464087

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 86922257) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)Cc2nnnn2C2CC2)cc1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is MXAIJBIJPZIZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-3-5-12(6-4-11)9-18(2)10-14-15-16-17-19(14)13-7-8-13/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 86922257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).