N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine

C8H15N5 — CID 104655680

IUPACN-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1nn[nH]n1
InChIInChI=1S/C8H15N5/c1-3-4-5-7(2)9-6-8-10-12-13-11-8/h3,7,9H,1,4-6H2,2H3,(H,10,11,12,13)
InChIKeyRXLXXIUQGKXAFH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds6

About N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine

N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine (PubChem CID 104655680) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine
PubChem CID104655680
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1nn[nH]n1
InChIInChI=1S/C8H15N5/c1-3-4-5-7(2)9-6-8-10-12-13-11-8/h3,7,9H,1,4-6H2,2H3,(H,10,11,12,13)
InChIKeyRXLXXIUQGKXAFH-UHFFFAOYSA-N
XLogP0.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 54092492
N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine
CID 104655679
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine
CID 107042689
N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine
CID 107042696

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine (CID 104655680) is N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine is C=CCCC(C)NCc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine?
The InChIKey is RXLXXIUQGKXAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-4-5-7(2)9-6-8-10-12-13-11-8/h3,7,9H,1,4-6H2,2H3,(H,10,11,12,13).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine?
N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 104655680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).