(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine

C11H22N2 — CID 147627142

IUPAC(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine
SMILESCC/C=C(NCC)\C(N)=C/CCC
InChIInChI=1S/C11H22N2/c1-4-7-9-10(12)11(8-5-2)13-6-3/h8-9,13H,4-7,12H2,1-3H3/b10-9+,11-8+
InChIKeyGEZWRDRYTSXWNQ-RUFFMTGISA-N
MW182.31 g/mol
LogP2.53
Rot. Bonds6

About (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine

(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine (PubChem CID 147627142) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine.

Molecular Properties

Compound Name(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine
PubChem CID147627142
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine
SMILESCC/C=C(NCC)\C(N)=C/CCC
InChIInChI=1S/C11H22N2/c1-4-7-9-10(12)11(8-5-2)13-6-3/h8-9,13H,4-7,12H2,1-3H3/b10-9+,11-8+
InChIKeyGEZWRDRYTSXWNQ-RUFFMTGISA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-aminohex-2-enamide
CID 55284106
(Z)-2-aminohex-2-enamide;hydrochloride
CID 87933245
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
(Z)-N-ethyl-3-methyloct-4-en-4-amine
CID 167154983
(3E,5Z)-nona-3,5-dien-4-amine
CID 146251565
(2Z,4Z)-4-aminoocta-2,4-dien-2-ol
CID 142871963
nona-3,5-dien-5-amine
CID 173041910
(E)-2-(carbamoylamino)hex-2-enoic acid
CID 87351470
(2Z,4E)-4-methylocta-2,4-dien-1-amine
CID 55285493
carbamoylurea;2-methylhex-2-ene
CID 174255335
pent-1-ene-1,1-diol
CID 21473005
(Z)-2-aminopent-2-enamide
CID 19089602

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine?
The IUPAC name of (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine (CID 147627142) is (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine.
What is the SMILES notation for (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine?
The canonical SMILES for (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine is CC/C=C(NCC)\C(N)=C/CCC.
What is the InChIKey of (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine?
The InChIKey is GEZWRDRYTSXWNQ-RUFFMTGISA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-9-10(12)11(8-5-2)13-6-3/h8-9,13H,4-7,12H2,1-3H3/b10-9+,11-8+.
What are the key properties of (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine?
(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine is sourced from PubChem (CID 147627142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).