(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine

C8H13N — CID 126689878

IUPAC(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(C)=C/NC
InChIInChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-7,9H,1H2,2-3H3/b6-5-,8-7-
InChIKeyFZEOOVBYEDFEGH-ISTTXYCBSA-N
MW123.20 g/mol
LogP1.85
Rot. Bonds3

About (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine (PubChem CID 126689878) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
PubChem CID126689878
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(C)=C/NC
InChIInChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-7,9H,1H2,2-3H3/b6-5-,8-7-
InChIKeyFZEOOVBYEDFEGH-ISTTXYCBSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.85
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

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CID 136523
2H-2-Benzazepine
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Dibenz[c,e]-azepine
CID 20188162
2,3-Dimethyl-1,4-Azepin
CID 21560535
Isoindolium bromide
CID 155490142
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(1E,3Z)-2-fluoro-5-methylidenehepta-1,3-dien-1-amine
CID 90048199
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine
CID 118569124

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine (CID 126689878) is (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine is C=C/C=C\C(C)=C/NC.
What is the InChIKey of (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine?
The InChIKey is FZEOOVBYEDFEGH-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-7,9H,1H2,2-3H3/b6-5-,8-7-.
What are the key properties of (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 126689878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).