(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine

C11H15N — CID 176519196

IUPAC(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine
SMILESC=CCC(C)=C=C/C=C\C(=C)N
InChIInChI=1S/C11H15N/c1-4-7-10(2)8-5-6-9-11(3)12/h4-6,9H,1,3,7,12H2,2H3/b9-6-
InChIKeyBQKDYQLUQQLYDI-TWGQIWQCSA-N
MW161.25 g/mol
LogP2.69
Rot. Bonds4

About (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine

(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine (PubChem CID 176519196) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine.

Molecular Properties

Compound Name(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine
PubChem CID176519196
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine
SMILESC=CCC(C)=C=C/C=C\C(=C)N
InChIInChI=1S/C11H15N/c1-4-7-10(2)8-5-6-9-11(3)12/h4-6,9H,1,3,7,12H2,2H3/b9-6-
InChIKeyBQKDYQLUQQLYDI-TWGQIWQCSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
(3Z,8Z)-10-methyl-5,7-dimethylideneundeca-1,3,8,10-tetraen-2-amine;molecular hydrogen
CID 143076297
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine
CID 162606381
(3Z)-5-methylhexa-1,3-diene-2,5-diamine
CID 163565471
(213C)pent-4-en-2-one
CID 173180315
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
CID 134431459
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine?
The IUPAC name of (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine (CID 176519196) is (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine.
What is the SMILES notation for (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine?
The canonical SMILES for (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine is C=CCC(C)=C=C/C=C\C(=C)N.
What is the InChIKey of (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine?
The InChIKey is BQKDYQLUQQLYDI-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H15N/c1-4-7-10(2)8-5-6-9-11(3)12/h4-6,9H,1,3,7,12H2,2H3/b9-6-.
What are the key properties of (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine?
(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine has a molecular weight of 161.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine is sourced from PubChem (CID 176519196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).