1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine

C11H20N4 — CID 115682672

IUPAC1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
SMILESCCC(CC1CC1)NCc1cnnn1C
InChIInChI=1S/C11H20N4/c1-3-10(6-9-4-5-9)12-7-11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyOXJBWRJBIVNUIU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.48
Rot. Bonds6

About 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine

1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine (PubChem CID 115682672) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
PubChem CID115682672
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
SMILESCCC(CC1CC1)NCc1cnnn1C
InChIInChI=1S/C11H20N4/c1-3-10(6-9-4-5-9)12-7-11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyOXJBWRJBIVNUIU-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-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-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 115682761
(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 104865416
(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
CID 114986524
3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 130948333
N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide
CID 115682453
1-ethylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]propan-2-amine
CID 115682796
1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
CID 66410514
N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 115682188
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682303
1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
CID 114690385
2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol
CID 115682675
1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
CID 115703082

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine (CID 115682672) is 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine is CCC(CC1CC1)NCc1cnnn1C.
What is the InChIKey of 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine?
The InChIKey is OXJBWRJBIVNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-10(6-9-4-5-9)12-7-11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine?
1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 115682672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).