(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C9H17N5 — CID 107058714

IUPAC(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCCNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C9H17N5/c1-3-10-8-6-4-5-7-9-11-13-14(2)12-9/h4-5,10H,3,6-8H2,1-2H3/b5-4+
InChIKeySKAORLKPKOXPRC-SNAWJCMRSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds6

About (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058714) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058714
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCCNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C9H17N5/c1-3-10-8-6-4-5-7-9-11-13-14(2)12-9/h4-5,10H,3,6-8H2,1-2H3/b5-4+
InChIKeySKAORLKPKOXPRC-SNAWJCMRSA-N
XLogP0.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.31
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-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
CID 79590293
N-ethyl-2,2-dimethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053097
N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 107053296
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053527
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045524
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine
CID 79591303
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
5-butyl-2-methyltetrazole;ethane
CID 144800630
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058714) is (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is CCNCC/C=C/Cc1nnn(C)n1.
What is the InChIKey of (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is SKAORLKPKOXPRC-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-10-8-6-4-5-7-9-11-13-14(2)12-9/h4-5,10H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).