N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine

C9H19N3 — CID 137402233

IUPACN-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
SMILES[H]/N=C/C=C\CCNCCNCC
InChIInChI=1S/C9H19N3/c1-2-11-8-9-12-7-5-3-4-6-10/h3-4,6,10-12H,2,5,7-9H2,1H3/b4-3-,10-6+
InChIKeyPJSXJTVVJIVQME-GEEJUIKGSA-N
MW169.27 g/mol
LogP0.78
Rot. Bonds8

About N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine

N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine (PubChem CID 137402233) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
PubChem CID137402233
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
SMILES[H]/N=C/C=C\CCNCCNCC
InChIInChI=1S/C9H19N3/c1-2-11-8-9-12-7-5-3-4-6-10/h3-4,6,10-12H,2,5,7-9H2,1H3/b4-3-,10-6+
InChIKeyPJSXJTVVJIVQME-GEEJUIKGSA-N
XLogP0.78
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E,5Z)-5-hydrazinylidene-N-methylpent-3-en-1-amine
CID 118617253
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571
N-(2-methyliminoethyl)hex-4-en-2-amine
CID 123303353
6-imino-N-methylhex-4-en-1-amine
CID 123776994
N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine
CID 123781675
N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 123985656
N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 126708180
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484
N-ethyl-2-[[(Z)-pent-2-enylidene]amino]ethanamine
CID 132002063
N'-[2-[[(E)-pent-3-enyl]amino]ethyl]-N-propylethane-1,2-diamine
CID 134442604
N-(2,3-dihydropyridin-2-ylmethyl)propan-2-amine
CID 142173291
(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine
CID 143904257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine (CID 137402233) is N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine is [H]/N=C/C=C\CCNCCNCC.
What is the InChIKey of N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine?
The InChIKey is PJSXJTVVJIVQME-GEEJUIKGSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-11-8-9-12-7-5-3-4-6-10/h3-4,6,10-12H,2,5,7-9H2,1H3/b4-3-,10-6+.
What are the key properties of N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine?
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine is sourced from PubChem (CID 137402233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).