(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine

C19H31N — CID 134371648

IUPAC(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine
SMILESC=C=C(C)/C(C)=C\C=C(C)\C=C\CCNC(C)(C)CC
InChIInChI=1S/C19H31N/c1-8-17(4)18(5)14-13-16(3)12-10-11-15-20-19(6,7)9-2/h10,12-14,20H,1,9,11,15H2,2-7H3/b12-10+,16-13+,18-14-
InChIKeyRKAGIYHVDMBOIB-VOTKAGPZSA-N
MW273.46 g/mol
LogP5.33
Rot. Bonds8

About (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine

(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine (PubChem CID 134371648) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine.

Molecular Properties

Compound Name(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine
PubChem CID134371648
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine
SMILESC=C=C(C)/C(C)=C\C=C(C)\C=C\CCNC(C)(C)CC
InChIInChI=1S/C19H31N/c1-8-17(4)18(5)14-13-16(3)12-10-11-15-20-19(6,7)9-2/h10,12-14,20H,1,9,11,15H2,2-7H3/b12-10+,16-13+,18-14-
InChIKeyRKAGIYHVDMBOIB-VOTKAGPZSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine?
The IUPAC name of (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine (CID 134371648) is (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine.
What is the SMILES notation for (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine?
The canonical SMILES for (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine is C=C=C(C)/C(C)=C\C=C(C)\C=C\CCNC(C)(C)CC.
What is the InChIKey of (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine?
The InChIKey is RKAGIYHVDMBOIB-VOTKAGPZSA-N. The full InChI is InChI=1S/C19H31N/c1-8-17(4)18(5)14-13-16(3)12-10-11-15-20-19(6,7)9-2/h10,12-14,20H,1,9,11,15H2,2-7H3/b12-10+,16-13+,18-14-.
What are the key properties of (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine?
(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine is sourced from PubChem (CID 134371648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).