N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine

C15H30N4 — CID 103907121

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1ncn(C)n1
InChIInChI=1S/C15H30N4/c1-4-6-8-10-14(11-9-7-5-2)16-12-15-17-13-19(3)18-15/h13-14,16H,4-12H2,1-3H3
InChIKeyMVBIDVXEXXQMSQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.43
Rot. Bonds11

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine (PubChem CID 103907121) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine
PubChem CID103907121
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1ncn(C)n1
InChIInChI=1S/C15H30N4/c1-4-6-8-10-14(11-9-7-5-2)16-12-15-17-13-19(3)18-15/h13-14,16H,4-12H2,1-3H3
InChIKeyMVBIDVXEXXQMSQ-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-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

1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
(2-azepan-1-yl-1-methylethyl)[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 56715560
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56717875
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259
3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole
CID 52191572
4-(dimethyl-1H-1,2,4-triazol-1-yl)piperidine
CID 61346563
1-(1-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 75470322
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine hydrochloride
CID 75493804
2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 156593528

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine (CID 103907121) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine is CCCCCC(CCCCC)NCc1ncn(C)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine?
The InChIKey is MVBIDVXEXXQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-6-8-10-14(11-9-7-5-2)16-12-15-17-13-19(3)18-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine has a molecular weight of 266.43 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine is sourced from PubChem (CID 103907121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).