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

C26H47N — CID 88699768

IUPAC3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine
SMILESC=CCN(C=CC(C)=CCCC(C)CCCC(C)CCCC(C)C)CC=C
InChIInChI=1S/C26H47N/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/h8-9,18-19,22-25H,1-2,10-17,20-21H2,3-7H3
InChIKeyKTLRXFLFTYOFGK-UHFFFAOYSA-N
MW373.67 g/mol
LogP8.17
Rot. Bonds17

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

3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine (PubChem CID 88699768) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine
PubChem CID88699768
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC Name3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine
SMILESC=CCN(C=CC(C)=CCCC(C)CCCC(C)CCCC(C)C)CC=C
InChIInChI=1S/C26H47N/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/h8-9,18-19,22-25H,1-2,10-17,20-21H2,3-7H3
InChIKeyKTLRXFLFTYOFGK-UHFFFAOYSA-N
XLogP8.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 58.17
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-dien-1-amine?
The IUPAC name of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine (CID 88699768) is 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine.
What is the SMILES notation for 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine?
The canonical SMILES for 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine is C=CCN(C=CC(C)=CCCC(C)CCCC(C)CCCC(C)C)CC=C.
What is the InChIKey of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine?
The InChIKey is KTLRXFLFTYOFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N/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/h8-9,18-19,22-25H,1-2,10-17,20-21H2,3-7H3.
What are the key properties of 3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine?
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine has a molecular weight of 373.67 g/mol, XLogP of 8.17, 17 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-dien-1-amine is sourced from PubChem (CID 88699768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).