N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine

C15H31N5 — CID 71211357

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)c1nn[nH]n1
InChIInChI=1S/C15H31N5/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15-17-19-20-18-15/h14,16H,3-13H2,1-2H3,(H,17,18,19,20)
InChIKeyLSHJBASQOXHJBG-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.77
Rot. Bonds13

About N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine

N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine (PubChem CID 71211357) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
PubChem CID71211357
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)c1nn[nH]n1
InChIInChI=1S/C15H31N5/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15-17-19-20-18-15/h14,16H,3-13H2,1-2H3,(H,17,18,19,20)
InChIKeyLSHJBASQOXHJBG-UHFFFAOYSA-N
XLogP3.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
CID 104696534
N-propan-2-ylicosan-1-amine
CID 87246132
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
1-(2H-tetrazol-5-yl)heptyl formate
CID 91802061
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
CID 116507980

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine (CID 71211357) is N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine is CCCCCCCCCCCCNC(C)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine?
The InChIKey is LSHJBASQOXHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15-17-19-20-18-15/h14,16H,3-13H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine?
N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine has a molecular weight of 281.45 g/mol, XLogP of 3.77, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine is sourced from PubChem (CID 71211357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).