N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine

C11H23N3 — CID 118049452

IUPACN-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine
SMILES[H]/N=C(\C)CC/C(=C\C)NCCNCC
InChIInChI=1S/C11H23N3/c1-4-11(7-6-10(3)12)14-9-8-13-5-2/h4,12-14H,5-9H2,1-3H3/b11-4+,12-10+
InChIKeyHYGAMAKUPGFMHH-ADAYYPRKSA-N
MW197.33 g/mol
LogP1.91
Rot. Bonds8

About N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine

N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine (PubChem CID 118049452) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine
PubChem CID118049452
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine
SMILES[H]/N=C(\C)CC/C(=C\C)NCCNCC
InChIInChI=1S/C11H23N3/c1-4-11(7-6-10(3)12)14-9-8-13-5-2/h4,12-14H,5-9H2,1-3H3/b11-4+,12-10+
InChIKeyHYGAMAKUPGFMHH-ADAYYPRKSA-N
XLogP1.91
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine (CID 118049452) is N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine is [H]/N=C(\C)CC/C(=C\C)NCCNCC.
What is the InChIKey of N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine?
The InChIKey is HYGAMAKUPGFMHH-ADAYYPRKSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-11(7-6-10(3)12)14-9-8-13-5-2/h4,12-14H,5-9H2,1-3H3/b11-4+,12-10+.
What are the key properties of N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine?
N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 118049452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).