(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine

C16H25N — CID 167457631

IUPAC(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine
SMILESC=C/C=C\C(=C/C=C)CCCC(=C)NCCC
InChIInChI=1S/C16H25N/c1-5-8-12-16(10-6-2)13-9-11-15(4)17-14-7-3/h5-6,8,10,12,17H,1-2,4,7,9,11,13-14H2,3H3/b12-8-,16-10+
InChIKeyWSJOORZPUKVNOO-UMSWYRGBSA-N
MW231.38 g/mol
LogP4.52
Rot. Bonds10

About (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine

(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine (PubChem CID 167457631) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine.

Molecular Properties

Compound Name(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine
PubChem CID167457631
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine
SMILESC=C/C=C\C(=C/C=C)CCCC(=C)NCCC
InChIInChI=1S/C16H25N/c1-5-8-12-16(10-6-2)13-9-11-15(4)17-14-7-3/h5-6,8,10,12,17H,1-2,4,7,9,11,13-14H2,3H3/b12-8-,16-10+
InChIKeyWSJOORZPUKVNOO-UMSWYRGBSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.52
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

(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine
CID 166923772
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
N-butylhept-1-en-2-amine
CID 170620308
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
N-hexyloct-1-en-2-amine
CID 169110016
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate
CID 138626057
(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
CID 142463090

Frequently Asked Questions

What is the IUPAC name of (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine?
The IUPAC name of (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine (CID 167457631) is (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine.
What is the SMILES notation for (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine?
The canonical SMILES for (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine is C=C/C=C\C(=C/C=C)CCCC(=C)NCCC.
What is the InChIKey of (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine?
The InChIKey is WSJOORZPUKVNOO-UMSWYRGBSA-N. The full InChI is InChI=1S/C16H25N/c1-5-8-12-16(10-6-2)13-9-11-15(4)17-14-7-3/h5-6,8,10,12,17H,1-2,4,7,9,11,13-14H2,3H3/b12-8-,16-10+.
What are the key properties of (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine?
(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine is sourced from PubChem (CID 167457631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).