4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine

C20H35N — CID 90032233

IUPAC4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine
SMILESC=CCN(CC=C)C(CCCCC)C(C)(CC=C)CC=C
InChIInChI=1S/C20H35N/c1-7-12-13-14-19(21(17-10-4)18-11-5)20(6,15-8-2)16-9-3/h8-11,19H,2-5,7,12-18H2,1,6H3
InChIKeyGOVSMUGRORGSPL-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.77
Rot. Bonds14

About 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine

4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine (PubChem CID 90032233) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine.

Molecular Properties

Compound Name4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine
PubChem CID90032233
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine
SMILESC=CCN(CC=C)C(CCCCC)C(C)(CC=C)CC=C
InChIInChI=1S/C20H35N/c1-7-12-13-14-19(21(17-10-4)18-11-5)20(6,15-8-2)16-9-3/h8-11,19H,2-5,7,12-18H2,1,6H3
InChIKeyGOVSMUGRORGSPL-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine?
The IUPAC name of 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine (CID 90032233) is 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine.
What is the SMILES notation for 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine?
The canonical SMILES for 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine is C=CCN(CC=C)C(CCCCC)C(C)(CC=C)CC=C.
What is the InChIKey of 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine?
The InChIKey is GOVSMUGRORGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-12-13-14-19(21(17-10-4)18-11-5)20(6,15-8-2)16-9-3/h8-11,19H,2-5,7,12-18H2,1,6H3.
What are the key properties of 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine?
4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine has a molecular weight of 289.51 g/mol, XLogP of 5.77, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N,4-tris(prop-2-enyl)dec-1-en-5-amine is sourced from PubChem (CID 90032233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).