N-(benzotriazol-1-ylmethyl)undecan-1-amine

C18H30N4 — CID 87833525

IUPACN-(benzotriazol-1-ylmethyl)undecan-1-amine
SMILESCCCCCCCCCCCNCn1nnc2ccccc21
InChIInChI=1S/C18H30N4/c1-2-3-4-5-6-7-8-9-12-15-19-16-22-18-14-11-10-13-17(18)20-21-22/h10-11,13-14,19H,2-9,12,15-16H2,1H3
InChIKeyZOOBZNOYZCMCNG-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.51
Rot. Bonds12

About N-(benzotriazol-1-ylmethyl)undecan-1-amine

N-(benzotriazol-1-ylmethyl)undecan-1-amine (PubChem CID 87833525) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)undecan-1-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)undecan-1-amine
PubChem CID87833525
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-(benzotriazol-1-ylmethyl)undecan-1-amine
SMILESCCCCCCCCCCCNCn1nnc2ccccc21
InChIInChI=1S/C18H30N4/c1-2-3-4-5-6-7-8-9-12-15-19-16-22-18-14-11-10-13-17(18)20-21-22/h10-11,13-14,19H,2-9,12,15-16H2,1H3
InChIKeyZOOBZNOYZCMCNG-UHFFFAOYSA-N
XLogP4.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)undecan-1-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)undecan-1-amine (CID 87833525) is N-(benzotriazol-1-ylmethyl)undecan-1-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)undecan-1-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)undecan-1-amine is CCCCCCCCCCCNCn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)undecan-1-amine?
The InChIKey is ZOOBZNOYZCMCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-2-3-4-5-6-7-8-9-12-15-19-16-22-18-14-11-10-13-17(18)20-21-22/h10-11,13-14,19H,2-9,12,15-16H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)undecan-1-amine?
N-(benzotriazol-1-ylmethyl)undecan-1-amine has a molecular weight of 302.47 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)undecan-1-amine is sourced from PubChem (CID 87833525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).