(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine

C26H53N — CID 6476638

IUPAC(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine
SMILESC/C(=C\CN(C(C)C)C(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C26H53N/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-27(22(3)4)23(5)6/h19,21-25H,10-18,20H2,1-9H3/b26-19+/t24-,25-/m1/s1
InChIKeyPNQFKMGHXCPQRE-NFVCEJASSA-N
MW379.72 g/mol
LogP8.49
Rot. Bonds16

About (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine

(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine (PubChem CID 6476638) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine.

Molecular Properties

Compound Name(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine
PubChem CID6476638
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine
SMILESC/C(=C\CN(C(C)C)C(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C26H53N/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-27(22(3)4)23(5)6/h19,21-25H,10-18,20H2,1-9H3/b26-19+/t24-,25-/m1/s1
InChIKeyPNQFKMGHXCPQRE-NFVCEJASSA-N
XLogP8.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine?
The IUPAC name of (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine (CID 6476638) is (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine.
What is the SMILES notation for (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine?
The canonical SMILES for (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine is C/C(=C\CN(C(C)C)C(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine?
The InChIKey is PNQFKMGHXCPQRE-NFVCEJASSA-N. The full InChI is InChI=1S/C26H53N/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-27(22(3)4)23(5)6/h19,21-25H,10-18,20H2,1-9H3/b26-19+/t24-,25-/m1/s1.
What are the key properties of (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine?
(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine has a molecular weight of 379.72 g/mol, XLogP of 8.49, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine is sourced from PubChem (CID 6476638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).