4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline

C13H20N6 — CID 107043654

IUPAC4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1nnn(C)n1
InChIInChI=1S/C13H20N6/c1-3-8-19(10-13-15-17-18(2)16-13)9-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3
InChIKeyDQOIWWMHCVCHFJ-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.20
Rot. Bonds6

About 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline

4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline (PubChem CID 107043654) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
PubChem CID107043654
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1nnn(C)n1
InChIInChI=1S/C13H20N6/c1-3-8-19(10-13-15-17-18(2)16-13)9-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3
InChIKeyDQOIWWMHCVCHFJ-UHFFFAOYSA-N
XLogP1.20
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline 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-N-[(2-methyltetrazol-5-yl)methyl]-4-N-propylbenzene-1,4-diamine
CID 107043717
4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
CID 61029995
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 115982035
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
4-[[(3-bromophenyl)methyl-propylamino]methyl]aniline
CID 43459560
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline?
The IUPAC name of 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline (CID 107043654) is 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline.
What is the SMILES notation for 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline?
The canonical SMILES for 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline is CCCN(Cc1ccc(N)cc1)Cc1nnn(C)n1.
What is the InChIKey of 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline?
The InChIKey is DQOIWWMHCVCHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-8-19(10-13-15-17-18(2)16-13)9-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3.
What are the key properties of 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline?
4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline has a molecular weight of 260.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline is sourced from PubChem (CID 107043654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).