(E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine

C10H19N5 — CID 107058720

IUPAC(E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(C)NCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-9(2)11-8-6-4-5-7-10-12-14-15(3)13-10/h4-5,9,11H,6-8H2,1-3H3/b5-4+
InChIKeyFDWVFSCHBIAZQI-SNAWJCMRSA-N
MW209.30 g/mol
LogP0.70
Rot. Bonds6

About (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine

(E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 107058720) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID107058720
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(C)NCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-9(2)11-8-6-4-5-7-10-12-14-15(3)13-10/h4-5,9,11H,6-8H2,1-3H3/b5-4+
InChIKeyFDWVFSCHBIAZQI-SNAWJCMRSA-N
XLogP0.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-(2-methyl-2H-tetrazol-5-yl)-1,2,3,6-tetrahydro-pyridine
CID 10241389
5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole
CID 174688845
5-(2-Propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 19612485
6-(2-Prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 19612519
2-Methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 23052452
5-(2-Ethyltetrazol-5-yl)-2-methyl-1,2,3,6-tetrahydropyridine
CID 53797202
2-Methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162314287
5-(2-Propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162322218
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]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 (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine (CID 107058720) is (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine is CC(C)NCC/C=C/Cc1nnn(C)n1.
What is the InChIKey of (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is FDWVFSCHBIAZQI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19N5/c1-9(2)11-8-6-4-5-7-10-12-14-15(3)13-10/h4-5,9,11H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
(E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 209.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methyltetrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 107058720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).