3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine

C11H23N3 — CID 174137843

IUPAC3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine
SMILESCC/N=C(/C=C(N)C(C)C)CCNC
InChIInChI=1S/C11H23N3/c1-5-14-10(6-7-13-4)8-11(12)9(2)3/h8-9,13H,5-7,12H2,1-4H3/b11-8?,14-10+
InChIKeyHRMHHZRIOHHURO-XWRBZYDCSA-N
MW197.33 g/mol
LogP1.56
Rot. Bonds6

About 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine

3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine (PubChem CID 174137843) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine.

Molecular Properties

Compound Name3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine
PubChem CID174137843
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine
SMILESCC/N=C(/C=C(N)C(C)C)CCNC
InChIInChI=1S/C11H23N3/c1-5-14-10(6-7-13-4)8-11(12)9(2)3/h8-9,13H,5-7,12H2,1-4H3/b11-8?,14-10+
InChIKeyHRMHHZRIOHHURO-XWRBZYDCSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine?
The IUPAC name of 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine (CID 174137843) is 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine.
What is the SMILES notation for 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine?
The canonical SMILES for 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine is CC/N=C(/C=C(N)C(C)C)CCNC.
What is the InChIKey of 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine?
The InChIKey is HRMHHZRIOHHURO-XWRBZYDCSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-14-10(6-7-13-4)8-11(12)9(2)3/h8-9,13H,5-7,12H2,1-4H3/b11-8?,14-10+.
What are the key properties of 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine?
3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine is sourced from PubChem (CID 174137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).