ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine

C14H29N — CID 156719624

IUPACethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CC)\C(=C/C)NC.CC.CC
InChIInChI=1S/C10H17N.2C2H6/c1-5-8-9(6-2)10(7-3)11-4;2*1-2/h5,7-8,11H,1,6H2,2-4H3;2*1-2H3/b9-8-,10-7+;;
InChIKeyGLSHABRPAYAYJH-YGTZMAEMSA-N
MW211.39 g/mol
LogP4.68
Rot. Bonds4

About ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine

ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine (PubChem CID 156719624) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
PubChem CID156719624
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CC)\C(=C/C)NC.CC.CC
InChIInChI=1S/C10H17N.2C2H6/c1-5-8-9(6-2)10(7-3)11-4;2*1-2/h5,7-8,11H,1,6H2,2-4H3;2*1-2H3/b9-8-,10-7+;;
InChIKeyGLSHABRPAYAYJH-YGTZMAEMSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E,5Z)-5-ethylocta-1,3,5,7-tetraen-4-yl]-3-methylurea
CID 138569425
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
ethane;(E,3Z)-3-ethylidene-4-(methylamino)hex-4-enal
CID 143963041
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142290491
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
CID 145294280
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
(3Z)-3-[(E)-1-(methylamino)but-2-en-2-yl]hexa-3,5-dienal
CID 142384554
(5Z,6Z)-6-ethyl-5-ethylidene-N,N-dimethylnona-6,8-dien-1-amine
CID 139492686

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine?
The IUPAC name of ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine (CID 156719624) is ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine?
The canonical SMILES for ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine is C=C/C=C(CC)\C(=C/C)NC.CC.CC.
What is the InChIKey of ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine?
The InChIKey is GLSHABRPAYAYJH-YGTZMAEMSA-N. The full InChI is InChI=1S/C10H17N.2C2H6/c1-5-8-9(6-2)10(7-3)11-4;2*1-2/h5,7-8,11H,1,6H2,2-4H3;2*1-2H3/b9-8-,10-7+;;.
What are the key properties of ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine?
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine has a molecular weight of 211.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 156719624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).