(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine

C13H23N — CID 142546554

IUPAC(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine
SMILESC/C=C/C=C\C(=C(/N)CC)C(C)CC
InChIInChI=1S/C13H23N/c1-5-8-9-10-12(11(4)6-2)13(14)7-3/h5,8-11H,6-7,14H2,1-4H3/b8-5+,10-9-,13-12+
InChIKeyIUOSJAJLOKEEGX-ZOZVOWEUSA-N
MW193.33 g/mol
LogP3.79
Rot. Bonds5

About (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine

(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine (PubChem CID 142546554) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine
PubChem CID142546554
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine
SMILESC/C=C/C=C\C(=C(/N)CC)C(C)CC
InChIInChI=1S/C13H23N/c1-5-8-9-10-12(11(4)6-2)13(14)7-3/h5,8-11H,6-7,14H2,1-4H3/b8-5+,10-9-,13-12+
InChIKeyIUOSJAJLOKEEGX-ZOZVOWEUSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine with MolForge

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Related Compounds

(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine
CID 155693335
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
but-2-enyl 2-methylbutanoate
CID 3024251
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
CID 146587341
(Z)-N-(3-methylpent-1-en-2-yl)but-2-en-1-imine
CID 135298540
(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal
CID 145029008
(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine
CID 176714914
(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
CID 143936258

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine?
The IUPAC name of (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine (CID 142546554) is (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine.
What is the SMILES notation for (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine?
The canonical SMILES for (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine is C/C=C/C=C\C(=C(/N)CC)C(C)CC.
What is the InChIKey of (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine?
The InChIKey is IUOSJAJLOKEEGX-ZOZVOWEUSA-N. The full InChI is InChI=1S/C13H23N/c1-5-8-9-10-12(11(4)6-2)13(14)7-3/h5,8-11H,6-7,14H2,1-4H3/b8-5+,10-9-,13-12+.
What are the key properties of (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine?
(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine is sourced from PubChem (CID 142546554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).