N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine

C8H15N5 — CID 107042689

IUPACN-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-4-5-7(2)9-6-8-10-12-13(3)11-8/h4,7,9H,1,5-6H2,2-3H3
InChIKeyDUXAVWNWBSFJBS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds5

About N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine

N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine (PubChem CID 107042689) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine
PubChem CID107042689
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-4-5-7(2)9-6-8-10-12-13(3)11-8/h4,7,9H,1,5-6H2,2-3H3
InChIKeyDUXAVWNWBSFJBS-UHFFFAOYSA-N
XLogP0.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2H-tetrazol-5-yl)ethyl]hex-5-en-2-amine
CID 104655679
N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine
CID 104655680
N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107041965
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine
CID 107042686
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107042687
N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine
CID 107042696
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-2-amine
CID 107042705
N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
CID 107050922
N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
CID 107050924
1-(2-methyltetrazol-5-yl)-N-propylpent-4-en-2-amine
CID 107050928
2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 107053622

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine (CID 107042689) is N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1nnn(C)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine?
The InChIKey is DUXAVWNWBSFJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-5-7(2)9-6-8-10-12-13(3)11-8/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine?
N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 107042689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).