(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane

C8H14BrN — CID 143722331

IUPAC(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
SMILESC=C/C(N)=C(/Br)C=C.CC
InChIInChI=1S/C6H8BrN.C2H6/c1-3-5(7)6(8)4-2;1-2/h3-4H,1-2,8H2;1-2H3/b6-5-;
InChIKeyWSSNWWGWDRSUPD-YSMBQZINSA-N
MW204.11 g/mol
LogP2.95
Rot. Bonds2

About (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane

(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane (PubChem CID 143722331) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane.

Molecular Properties

Compound Name(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
PubChem CID143722331
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
SMILESC=C/C(N)=C(/Br)C=C.CC
InChIInChI=1S/C6H8BrN.C2H6/c1-3-5(7)6(8)4-2;1-2/h3-4H,1-2,8H2;1-2H3/b6-5-;
InChIKeyWSSNWWGWDRSUPD-YSMBQZINSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 52.95
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

ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
(3Z)-4-bromo-3-methoxyhexa-1,3,5-trien-2-amine
CID 166130604
S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane
CID 176556856
2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400
ethane;(3Z)-4-hydrazinylhexa-1,3,5-trien-3-amine;molecular hydrogen
CID 142384162
N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane
CID 163370351
(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine
CID 146327197
acetic acid;(3Z)-4-aminohexa-1,3,5-trien-3-ol
CID 142913066
(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane
CID 156802390
4-prop-2-enylhepta-1,3,6-trien-3-amine
CID 174731019
(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol
CID 139404872
(3E,5Z)-6-amino-5-bromo-6-chlorohexa-1,3,5-trien-3-ol
CID 89180508

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane?
The IUPAC name of (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane (CID 143722331) is (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane.
What is the SMILES notation for (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane?
The canonical SMILES for (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane is C=C/C(N)=C(/Br)C=C.CC.
What is the InChIKey of (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane?
The InChIKey is WSSNWWGWDRSUPD-YSMBQZINSA-N. The full InChI is InChI=1S/C6H8BrN.C2H6/c1-3-5(7)6(8)4-2;1-2/h3-4H,1-2,8H2;1-2H3/b6-5-;.
What are the key properties of (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane?
(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane has a molecular weight of 204.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane is sourced from PubChem (CID 143722331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).