(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine

C7H14N2O — CID 142870254

IUPAC(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine
SMILESC/C=C(\C=C/NOC)CN
InChIInChI=1S/C7H14N2O/c1-3-7(6-8)4-5-9-10-2/h3-5,9H,6,8H2,1-2H3/b5-4-,7-3+
InChIKeyFKZLYMBZTHRTKP-SBYNAHCQSA-N
MW142.20 g/mol
LogP0.56
Rot. Bonds4

About (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine

(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine (PubChem CID 142870254) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine
PubChem CID142870254
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine
SMILESC/C=C(\C=C/NOC)CN
InChIInChI=1S/C7H14N2O/c1-3-7(6-8)4-5-9-10-2/h3-5,9H,6,8H2,1-2H3/b5-4-,7-3+
InChIKeyFKZLYMBZTHRTKP-SBYNAHCQSA-N
XLogP0.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(methoxyamino)prop-2-en-1-ol
CID 57086072
(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
CID 163733302
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide
CID 143226619
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
CID 153400749
CID 153400749
(1Z)-N-methoxybuta-1,3-dien-1-amine
CID 146939245
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
CID 142040698
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
(1Z,3Z)-3-ethylidene-N,5-dimethylhexa-1,5-dien-1-amine
CID 134476400
O-methyl 2-aminoethanethioate
CID 140974503

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine (CID 142870254) is (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine is C/C=C(\C=C/NOC)CN.
What is the InChIKey of (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine?
The InChIKey is FKZLYMBZTHRTKP-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-7(6-8)4-5-9-10-2/h3-5,9H,6,8H2,1-2H3/b5-4-,7-3+.
What are the key properties of (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine?
(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine has a molecular weight of 142.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine is sourced from PubChem (CID 142870254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).