3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine

C26H45N — CID 88700175

IUPAC3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine
SMILESC=CCN(C=CC(C)=CCCC(C)CCCC(C)CCC=C(C)C)CC=C
InChIInChI=1S/C26H45N/c1-8-20-27(21-9-2)22-19-26(7)18-12-17-25(6)16-11-15-24(5)14-10-13-23(3)4/h8-9,13,18-19,22,24-25H,1-2,10-12,14-17,20-21H2,3-7H3
InChIKeyRUGUICZSKCVTHJ-UHFFFAOYSA-N
MW371.65 g/mol
LogP8.09
Rot. Bonds16

About 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine

3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine (PubChem CID 88700175) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine
PubChem CID88700175
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC Name3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine
SMILESC=CCN(C=CC(C)=CCCC(C)CCCC(C)CCC=C(C)C)CC=C
InChIInChI=1S/C26H45N/c1-8-20-27(21-9-2)22-19-26(7)18-12-17-25(6)16-11-15-24(5)14-10-13-23(3)4/h8-9,13,18-19,22,24-25H,1-2,10-12,14-17,20-21H2,3-7H3
InChIKeyRUGUICZSKCVTHJ-UHFFFAOYSA-N
XLogP8.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 58.09
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine?
The IUPAC name of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine (CID 88700175) is 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine.
What is the SMILES notation for 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine?
The canonical SMILES for 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine is C=CCN(C=CC(C)=CCCC(C)CCCC(C)CCC=C(C)C)CC=C.
What is the InChIKey of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine?
The InChIKey is RUGUICZSKCVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N/c1-8-20-27(21-9-2)22-19-26(7)18-12-17-25(6)16-11-15-24(5)14-10-13-23(3)4/h8-9,13,18-19,22,24-25H,1-2,10-12,14-17,20-21H2,3-7H3.
What are the key properties of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine?
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine has a molecular weight of 371.65 g/mol, XLogP of 8.09, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine is sourced from PubChem (CID 88700175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).