N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine

C14H22N4 — CID 62561970

IUPACN-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)n1nnc2ccccc21
InChIInChI=1S/C14H22N4/c1-4-12(5-2)15-10-11(3)18-14-9-7-6-8-13(14)16-17-18/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyWRXVCIKOGCAKIH-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine

N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine (PubChem CID 62561970) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
PubChem CID62561970
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)n1nnc2ccccc21
InChIInChI=1S/C14H22N4/c1-4-12(5-2)15-10-11(3)18-14-9-7-6-8-13(14)16-17-18/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyWRXVCIKOGCAKIH-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62448568
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
4-(benzotriazol-1-yl)-N-propylpentan-1-amine
CID 62448554
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 22217665
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
N-[1-(benzotriazol-1-yl)butyl]aniline
CID 14661999
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine (CID 62561970) is N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine is CCC(CC)NCC(C)n1nnc2ccccc21.
What is the InChIKey of N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine?
The InChIKey is WRXVCIKOGCAKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-12(5-2)15-10-11(3)18-14-9-7-6-8-13(14)16-17-18/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine?
N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine has a molecular weight of 246.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine is sourced from PubChem (CID 62561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).