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

C9H17N5 — CID 104655679

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H17N5/c1-4-5-6-7(2)10-8(3)9-11-13-14-12-9/h4,7-8,10H,1,5-6H2,2-3H3,(H,11,12,13,14)
InChIKeyHKGKQBMQXIEOJM-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds6

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

N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine (PubChem CID 104655679) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine
PubChem CID104655679
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H17N5/c1-4-5-6-7(2)10-8(3)9-11-13-14-12-9/h4,7-8,10H,1,5-6H2,2-3H3,(H,11,12,13,14)
InChIKeyHKGKQBMQXIEOJM-UHFFFAOYSA-N
XLogP1.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine (CID 104655679) is N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NC(C)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine?
The InChIKey is HKGKQBMQXIEOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-5-6-7(2)10-8(3)9-11-13-14-12-9/h4,7-8,10H,1,5-6H2,2-3H3,(H,11,12,13,14).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine?
N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.21, 6 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]hex-5-en-2-amine is sourced from PubChem (CID 104655679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).