(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine

C20H41N — CID 6476637

IUPAC(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine
SMILESC/C(=C\CN)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16,21H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKeyFLZKEAJMRZLDDO-PYDDKJGSSA-N
MW295.56 g/mol
LogP6.33
Rot. Bonds13

About (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine

(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine (PubChem CID 6476637) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine.

Molecular Properties

Compound Name(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine
PubChem CID6476637
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine
SMILESC/C(=C\CN)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16,21H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKeyFLZKEAJMRZLDDO-PYDDKJGSSA-N
XLogP6.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine?
The IUPAC name of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine (CID 6476637) is (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine.
What is the SMILES notation for (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine?
The canonical SMILES for (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine is C/C(=C\CN)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine?
The InChIKey is FLZKEAJMRZLDDO-PYDDKJGSSA-N. The full InChI is InChI=1S/C20H41N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16,21H2,1-5H3/b20-15+/t18-,19-/m1/s1.
What are the key properties of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine?
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.33, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine is sourced from PubChem (CID 6476637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).