N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine

C20H23N7 — CID 1380914

IUPACN,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine
SMILESc1ccc2c(c1)nnn2CN(Cn1nnc2ccccc21)C1CCCCC1
InChIInChI=1S/C20H23N7/c1-2-8-16(9-3-1)25(14-26-19-12-6-4-10-17(19)21-23-26)15-27-20-13-7-5-11-18(20)22-24-27/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyOAJLFCMZFUYAIO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.43
Rot. Bonds5

About N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine

N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine (PubChem CID 1380914) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine
PubChem CID1380914
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine
SMILESc1ccc2c(c1)nnn2CN(Cn1nnc2ccccc21)C1CCCCC1
InChIInChI=1S/C20H23N7/c1-2-8-16(9-3-1)25(14-26-19-12-6-4-10-17(19)21-23-26)15-27-20-13-7-5-11-18(20)22-24-27/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyOAJLFCMZFUYAIO-UHFFFAOYSA-N
XLogP3.43
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine?
The IUPAC name of N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine (CID 1380914) is N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine.
What is the SMILES notation for N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine?
The canonical SMILES for N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine is c1ccc2c(c1)nnn2CN(Cn1nnc2ccccc21)C1CCCCC1.
What is the InChIKey of N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine?
The InChIKey is OAJLFCMZFUYAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-2-8-16(9-3-1)25(14-26-19-12-6-4-10-17(19)21-23-26)15-27-20-13-7-5-11-18(20)22-24-27/h4-7,10-13,16H,1-3,8-9,14-15H2.
What are the key properties of N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine?
N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine has a molecular weight of 361.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(benzotriazol-1-ylmethyl)cyclohexanamine is sourced from PubChem (CID 1380914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).