ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine

C11H21N — CID 142253668

IUPACethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=C/C)C(C)N.CC
InChIInChI=1S/C9H15N.C2H6/c1-4-6-9(7-5-2)8(3)10;1-2/h4-8H,1,10H2,2-3H3;1-2H3/b7-5-,9-6+;
InChIKeyLBRGROLOXRCOLV-UKRQJTKBSA-N
MW167.30 g/mol
LogP3.05
Rot. Bonds3

About ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine

ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine (PubChem CID 142253668) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine.

Molecular Properties

Compound Nameethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
PubChem CID142253668
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=C/C)C(C)N.CC
InChIInChI=1S/C9H15N.C2H6/c1-4-6-9(7-5-2)8(3)10;1-2/h4-8H,1,10H2,2-3H3;1-2H3/b7-5-,9-6+;
InChIKeyLBRGROLOXRCOLV-UKRQJTKBSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.05
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

(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane
CID 142578405
(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienal;pentan-2-one
CID 143358697
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 142824224
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The IUPAC name of ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine (CID 142253668) is ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine.
What is the SMILES notation for ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The canonical SMILES for ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine is C=C/C=C(\C=C/C)C(C)N.CC.
What is the InChIKey of ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The InChIKey is LBRGROLOXRCOLV-UKRQJTKBSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-4-6-9(7-5-2)8(3)10;1-2/h4-8H,1,10H2,2-3H3;1-2H3/b7-5-,9-6+;.
What are the key properties of ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine is sourced from PubChem (CID 142253668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).