(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine

C10H15N — CID 88576528

IUPAC(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(/C=C\C)C(\C)=C/N
InChIInChI=1S/C10H15N/c1-4-6-10(7-5-2)9(3)8-11/h4-8H,1,11H2,2-3H3/b7-5-,9-8-,10-6-
InChIKeyPIHUXEOJTBNKPS-SJGOFHIKSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds3

About (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine (PubChem CID 88576528) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
PubChem CID88576528
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(/C=C\C)C(\C)=C/N
InChIInChI=1S/C10H15N/c1-4-6-10(7-5-2)9(3)8-11/h4-8H,1,11H2,2-3H3/b7-5-,9-8-,10-6-
InChIKeyPIHUXEOJTBNKPS-SJGOFHIKSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
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

(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine
CID 166956993
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 142041463
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine (CID 88576528) is (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine is C=C/C=C(/C=C\C)C(\C)=C/N.
What is the InChIKey of (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
The InChIKey is PIHUXEOJTBNKPS-SJGOFHIKSA-N. The full InChI is InChI=1S/C10H15N/c1-4-6-10(7-5-2)9(3)8-11/h4-8H,1,11H2,2-3H3/b7-5-,9-8-,10-6-.
What are the key properties of (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88576528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).