(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine

C23H43N — CID 146206523

IUPAC(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine
SMILESC=C(CC(C)C[C@H](C)CCC(C)(C)N)/C(=C\C=C(/C)CCC)CC
InChIInChI=1S/C23H43N/c1-9-11-18(3)12-13-22(10-2)21(6)17-20(5)16-19(4)14-15-23(7,8)24/h12-13,19-20H,6,9-11,14-17,24H2,1-5,7-8H3/b18-12+,22-13-/t19-,20?/m1/s1
InChIKeyNTICTSANZIMKNR-ZFAJARGISA-N
MW333.60 g/mol
LogP7.20
Rot. Bonds12

About (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine

(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine (PubChem CID 146206523) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine.

Molecular Properties

Compound Name(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine
PubChem CID146206523
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine
SMILESC=C(CC(C)C[C@H](C)CCC(C)(C)N)/C(=C\C=C(/C)CCC)CC
InChIInChI=1S/C23H43N/c1-9-11-18(3)12-13-22(10-2)21(6)17-20(5)16-19(4)14-15-23(7,8)24/h12-13,19-20H,6,9-11,14-17,24H2,1-5,7-8H3/b18-12+,22-13-/t19-,20?/m1/s1
InChIKeyNTICTSANZIMKNR-ZFAJARGISA-N
XLogP7.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine?
The IUPAC name of (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine (CID 146206523) is (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine.
What is the SMILES notation for (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine?
The canonical SMILES for (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine is C=C(CC(C)C[C@H](C)CCC(C)(C)N)/C(=C\C=C(/C)CCC)CC.
What is the InChIKey of (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine?
The InChIKey is NTICTSANZIMKNR-ZFAJARGISA-N. The full InChI is InChI=1S/C23H43N/c1-9-11-18(3)12-13-22(10-2)21(6)17-20(5)16-19(4)14-15-23(7,8)24/h12-13,19-20H,6,9-11,14-17,24H2,1-5,7-8H3/b18-12+,22-13-/t19-,20?/m1/s1.
What are the key properties of (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine?
(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine has a molecular weight of 333.60 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine is sourced from PubChem (CID 146206523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).