N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine

C14H20N4 — CID 79621816

IUPACN-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)Cn1nnc2ccccc21
InChIInChI=1S/C14H20N4/c1-14(2,9-15-11-7-8-11)10-18-13-6-4-3-5-12(13)16-17-18/h3-6,11,15H,7-10H2,1-2H3
InChIKeyVJDKLSBEQZAOMV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.21
Rot. Bonds5

About N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79621816) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79621816
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)Cn1nnc2ccccc21
InChIInChI=1S/C14H20N4/c1-14(2,9-15-11-7-8-11)10-18-13-6-4-3-5-12(13)16-17-18/h3-6,11,15H,7-10H2,1-2H3
InChIKeyVJDKLSBEQZAOMV-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine (CID 79621816) is N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine is CC(C)(CNC1CC1)Cn1nnc2ccccc21.
What is the InChIKey of N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is VJDKLSBEQZAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,9-15-11-7-8-11)10-18-13-6-4-3-5-12(13)16-17-18/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 244.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79621816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).