2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C13H25N5 — CID 107045279

IUPAC2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1cn(C)nn1)C1CCCCC1CN
InChIInChI=1S/C13H25N5/c1-3-18(10-12-9-17(2)16-15-12)13-7-5-4-6-11(13)8-14/h9,11,13H,3-8,10,14H2,1-2H3
InChIKeyARJYFUOXISZYJQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.15
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 107045279) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID107045279
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1cn(C)nn1)C1CCCCC1CN
InChIInChI=1S/C13H25N5/c1-3-18(10-12-9-17(2)16-15-12)13-7-5-4-6-11(13)8-14/h9,11,13H,3-8,10,14H2,1-2H3
InChIKeyARJYFUOXISZYJQ-UHFFFAOYSA-N
XLogP1.15
TPSA59.97 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-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

N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041752
2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114556378
[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059071
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
3-[cyclopropyl-[(1-methyltriazol-4-yl)methyl]amino]propanethioamide
CID 107042943
2-(aminomethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004724
2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
CID 116519825
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041743
2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
CID 79428075
2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 79982572
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 107041828

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 107045279) is 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is CCN(Cc1cn(C)nn1)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is ARJYFUOXISZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-18(10-12-9-17(2)16-15-12)13-7-5-4-6-11(13)8-14/h9,11,13H,3-8,10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107045279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).