1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine

C12H26N2 — CID 146238054

IUPAC1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine
SMILESCCCC(/C=C/NC(C)NCC)CC
InChIInChI=1S/C12H26N2/c1-5-8-12(6-2)9-10-14-11(4)13-7-3/h9-14H,5-8H2,1-4H3/b10-9+
InChIKeyVWQIQHMCTWYXMV-MDZDMXLPSA-N
MW198.35 g/mol
LogP2.87
Rot. Bonds8

About 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine

1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine (PubChem CID 146238054) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine
PubChem CID146238054
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine
SMILESCCCC(/C=C/NC(C)NCC)CC
InChIInChI=1S/C12H26N2/c1-5-8-12(6-2)9-10-14-11(4)13-7-3/h9-14H,5-8H2,1-4H3/b10-9+
InChIKeyVWQIQHMCTWYXMV-MDZDMXLPSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-3-ethyl-N-methylhex-1-en-1-amine
CID 146892153
4-ethylhept-2-ene
CID 54449444
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
(2S)-2-ethylpentanal
CID 71368973
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445
N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine
CID 123456354
7-ethyl-4-methylundeca-2,5-diene
CID 91185821
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 62039695

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine?
The IUPAC name of 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine (CID 146238054) is 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine?
The canonical SMILES for 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine is CCCC(/C=C/NC(C)NCC)CC.
What is the InChIKey of 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine?
The InChIKey is VWQIQHMCTWYXMV-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-8-12(6-2)9-10-14-11(4)13-7-3/h9-14H,5-8H2,1-4H3/b10-9+.
What are the key properties of 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine?
1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N'-[(E)-3-ethylhex-1-enyl]ethane-1,1-diamine is sourced from PubChem (CID 146238054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).