ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine

C11H22N2 — CID 143109979

IUPACethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
SMILESC=C.C=C/C=C(\CC)C(CN)NC
InChIInChI=1S/C9H18N2.C2H4/c1-4-6-8(5-2)9(7-10)11-3;1-2/h4,6,9,11H,1,5,7,10H2,2-3H3;1-2H2/b8-6+;
InChIKeyNHIVYKBHCXLCIG-WVLIHFOGSA-N
MW182.31 g/mol
LogP1.86
Rot. Bonds5

About ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine

ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine (PubChem CID 143109979) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Nameethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
PubChem CID143109979
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
SMILESC=C.C=C/C=C(\CC)C(CN)NC
InChIInChI=1S/C9H18N2.C2H4/c1-4-6-8(5-2)9(7-10)11-3;1-2/h4,6,9,11H,1,5,7,10H2,2-3H3;1-2H2/b8-6+;
InChIKeyNHIVYKBHCXLCIG-WVLIHFOGSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
CID 174193484
[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl] (2S)-4-methyl-2-(methylamino)pentanoate
CID 166883604
(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine
CID 126514852
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
CID 145477828
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472

Frequently Asked Questions

What is the IUPAC name of ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine?
The IUPAC name of ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine (CID 143109979) is ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine.
What is the SMILES notation for ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine?
The canonical SMILES for ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine is C=C.C=C/C=C(\CC)C(CN)NC.
What is the InChIKey of ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine?
The InChIKey is NHIVYKBHCXLCIG-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H18N2.C2H4/c1-4-6-8(5-2)9(7-10)11-3;1-2/h4,6,9,11H,1,5,7,10H2,2-3H3;1-2H2/b8-6+;.
What are the key properties of ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine?
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 143109979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).