3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine

C13H25N3 — CID 144799384

IUPAC3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine
SMILESC=C/C(=N\C=C(C)C)C(N)C(CC)CCN
InChIInChI=1S/C13H25N3/c1-5-11(7-8-14)13(15)12(6-2)16-9-10(3)4/h6,9,11,13H,2,5,7-8,14-15H2,1,3-4H3/b16-12+
InChIKeyUIDLLZONJBWGMG-FOWTUZBSSA-N
MW223.36 g/mol
LogP2.24
Rot. Bonds7

About 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine

3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine (PubChem CID 144799384) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine.

Molecular Properties

Compound Name3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine
PubChem CID144799384
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine
SMILESC=C/C(=N\C=C(C)C)C(N)C(CC)CCN
InChIInChI=1S/C13H25N3/c1-5-11(7-8-14)13(15)12(6-2)16-9-10(3)4/h6,9,11,13H,2,5,7-8,14-15H2,1,3-4H3/b16-12+
InChIKeyUIDLLZONJBWGMG-FOWTUZBSSA-N
XLogP2.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
CID 163897078
3-Imino-5-methyloct-7-en-2-amine
CID 90277713
2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine
CID 123857206
3-Imino-5-methylhept-6-en-2-amine
CID 124011593
(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine
CID 126518760
(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
CID 130442162
(Z)-2,4-dimethyl-3-propan-2-yliminopent-1-en-1-amine
CID 131996296
2-Ethenyl-4-methyliminopentan-1-amine
CID 145468051
3-Cyclopentylimino-2-methylpenta-1,4-dien-1-amine
CID 148725137
3-Cyclopentylimino-2-ethylpenta-1,4-dien-1-amine
CID 152978176
(Z)-2-(3-ethyl-2,3,4,5-tetrahydropyridin-6-yl)but-1-en-1-amine;propane
CID 153571613
4-Methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine
CID 163515360

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine?
The IUPAC name of 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine (CID 144799384) is 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine.
What is the SMILES notation for 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine?
The canonical SMILES for 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine is C=C/C(=N\C=C(C)C)C(N)C(CC)CCN.
What is the InChIKey of 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine?
The InChIKey is UIDLLZONJBWGMG-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11(7-8-14)13(15)12(6-2)16-9-10(3)4/h6,9,11,13H,2,5,7-8,14-15H2,1,3-4H3/b16-12+.
What are the key properties of 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine?
3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine has a molecular weight of 223.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine is sourced from PubChem (CID 144799384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).