N-(benzotriazol-1-ylmethyl)cyclohexanamine

C13H18N4 — CID 814555

IUPACN-(benzotriazol-1-ylmethyl)cyclohexanamine
SMILESc1ccc2c(c1)nnn2CNC1CCCCC1
InChIInChI=1S/C13H18N4/c1-2-6-11(7-3-1)14-10-17-13-9-5-4-8-12(13)15-16-17/h4-5,8-9,11,14H,1-3,6-7,10H2
InChIKeyFUROVGCSPHYQAH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)cyclohexanamine

N-(benzotriazol-1-ylmethyl)cyclohexanamine (PubChem CID 814555) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)cyclohexanamine
PubChem CID814555
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(benzotriazol-1-ylmethyl)cyclohexanamine
SMILESc1ccc2c(c1)nnn2CNC1CCCCC1
InChIInChI=1S/C13H18N4/c1-2-6-11(7-3-1)14-10-17-13-9-5-4-8-12(13)15-16-17/h4-5,8-9,11,14H,1-3,6-7,10H2
InChIKeyFUROVGCSPHYQAH-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)cyclohexanamine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)cyclohexanamine (CID 814555) is N-(benzotriazol-1-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)cyclohexanamine is c1ccc2c(c1)nnn2CNC1CCCCC1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)cyclohexanamine?
The InChIKey is FUROVGCSPHYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-6-11(7-3-1)14-10-17-13-9-5-4-8-12(13)15-16-17/h4-5,8-9,11,14H,1-3,6-7,10H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)cyclohexanamine?
N-(benzotriazol-1-ylmethyl)cyclohexanamine has a molecular weight of 230.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)cyclohexanamine is sourced from PubChem (CID 814555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).