(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine

C16H31N — CID 174255634

IUPAC(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine
SMILESCCCCC(/C=C\C=C/CCC(C)C)CCN
InChIInChI=1S/C16H31N/c1-4-5-11-16(13-14-17)12-9-7-6-8-10-15(2)3/h6-7,9,12,15-16H,4-5,8,10-11,13-14,17H2,1-3H3/b7-6-,12-9-
InChIKeyCGWPZUJJENMOJS-OMBMMOEUSA-N
MW237.43 g/mol
LogP4.69
Rot. Bonds10

About (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine

(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine (PubChem CID 174255634) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine
PubChem CID174255634
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine
SMILESCCCCC(/C=C\C=C/CCC(C)C)CCN
InChIInChI=1S/C16H31N/c1-4-5-11-16(13-14-17)12-9-7-6-8-10-15(2)3/h6-7,9,12,15-16H,4-5,8,10-11,13-14,17H2,1-3H3/b7-6-,12-9-
InChIKeyCGWPZUJJENMOJS-OMBMMOEUSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.69
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

2-methyl-7-(3-methylbutyl)dodec-5-ene
CID 123813369
2-(2-aminoethyl)heptanal
CID 163417417
(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
3-ethyldeca-4,6-diene
CID 91239582
(E)-6-butylhexacos-7-ene
CID 173194372
11-methyltrideca-5,7-diene
CID 91357008
2-methylhexadeca-3,5-diene
CID 140995829
(4Z,6Z)-3-ethylocta-4,6-dien-1-amine
CID 89156620
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
7-[(Z)-4-methylpent-1-enyl]tridecane
CID 140612974
2-methylhexane;propane
CID 143695748

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine?
The IUPAC name of (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine (CID 174255634) is (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine?
The canonical SMILES for (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine is CCCCC(/C=C\C=C/CCC(C)C)CCN.
What is the InChIKey of (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine?
The InChIKey is CGWPZUJJENMOJS-OMBMMOEUSA-N. The full InChI is InChI=1S/C16H31N/c1-4-5-11-16(13-14-17)12-9-7-6-8-10-15(2)3/h6-7,9,12,15-16H,4-5,8,10-11,13-14,17H2,1-3H3/b7-6-,12-9-.
What are the key properties of (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine?
(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine is sourced from PubChem (CID 174255634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).