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

C13H20N4 — CID 62448568

IUPACN-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)n1nnc2ccccc21
InChIInChI=1S/C13H20N4/c1-10(2)8-14-9-11(3)17-13-7-5-4-6-12(13)15-16-17/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyFGCKHCGUGJIPPE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.24
Rot. Bonds5

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

N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 62448568) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID62448568
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)n1nnc2ccccc21
InChIInChI=1S/C13H20N4/c1-10(2)8-14-9-11(3)17-13-7-5-4-6-12(13)15-16-17/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyFGCKHCGUGJIPPE-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
CID 62561970
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
1-(3-methyl-1-methylsulfanylbutyl)benzotriazole
CID 3697894
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
N-[1,3-bis(benzotriazol-1-yl)butyl]-4-chloroaniline
CID 3657048
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 22217665
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine (CID 62448568) is N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)n1nnc2ccccc21.
What is the InChIKey of N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is FGCKHCGUGJIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)8-14-9-11(3)17-13-7-5-4-6-12(13)15-16-17/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine?
N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.24, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 62448568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).