(1E,3Z)-5-methylhexa-1,3-dien-1-amine

C7H13N — CID 163516351

IUPAC(1E,3Z)-5-methylhexa-1,3-dien-1-amine
SMILESCC(C)/C=C\C=C\N
InChIInChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h3-7H,8H2,1-2H3/b5-3-,6-4+
InChIKeyDHCFMNKBVDCKDC-CIIODKQPSA-N
MW111.19 g/mol
LogP1.67
Rot. Bonds2

About (1E,3Z)-5-methylhexa-1,3-dien-1-amine

(1E,3Z)-5-methylhexa-1,3-dien-1-amine (PubChem CID 163516351) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1E,3Z)-5-methylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-methylhexa-1,3-dien-1-amine
PubChem CID163516351
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1E,3Z)-5-methylhexa-1,3-dien-1-amine
SMILESCC(C)/C=C\C=C\N
InChIInChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h3-7H,8H2,1-2H3/b5-3-,6-4+
InChIKeyDHCFMNKBVDCKDC-CIIODKQPSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.67
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

1,6-Hexadienediamine
CID 20555425
Octadienylamine
CID 22119560
Isoamylenamin
CID 53405416
Aminoheptadiene
CID 53704068
Aminooctadiene
CID 73866044
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(1Z,3Z)-N-fluorohepta-1,3-dien-1-amine
CID 134462729
(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine
CID 146400096
(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
CID 146550324
(1E,3Z)-2-fluorohexa-1,3-dien-1-amine
CID 163449845
(1E,3Z,5E)-6-fluoroocta-1,3,5-trien-1-amine
CID 167114432
(1E,3Z)-2-(fluoromethyl)penta-1,3-dien-1-amine
CID 144245328

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-methylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-5-methylhexa-1,3-dien-1-amine (CID 163516351) is (1E,3Z)-5-methylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-5-methylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-5-methylhexa-1,3-dien-1-amine is CC(C)/C=C\C=C\N.
What is the InChIKey of (1E,3Z)-5-methylhexa-1,3-dien-1-amine?
The InChIKey is DHCFMNKBVDCKDC-CIIODKQPSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h3-7H,8H2,1-2H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-5-methylhexa-1,3-dien-1-amine?
(1E,3Z)-5-methylhexa-1,3-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-methylhexa-1,3-dien-1-amine is sourced from PubChem (CID 163516351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).