N,N,5-tris(prop-2-enyl)undec-1-en-6-amine

C20H35N — CID 90032235

IUPACN,N,5-tris(prop-2-enyl)undec-1-en-6-amine
SMILESC=CCCC(CC=C)C(CCCCC)N(CC=C)CC=C
InChIInChI=1S/C20H35N/c1-6-11-13-16-20(21(17-9-4)18-10-5)19(14-8-3)15-12-7-2/h7-10,19-20H,2-6,11-18H2,1H3
InChIKeyRUNBZWIJEAUOJO-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.77
Rot. Bonds15

About N,N,5-tris(prop-2-enyl)undec-1-en-6-amine

N,N,5-tris(prop-2-enyl)undec-1-en-6-amine (PubChem CID 90032235) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,N,5-tris(prop-2-enyl)undec-1-en-6-amine.

Molecular Properties

Compound NameN,N,5-tris(prop-2-enyl)undec-1-en-6-amine
PubChem CID90032235
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,N,5-tris(prop-2-enyl)undec-1-en-6-amine
SMILESC=CCCC(CC=C)C(CCCCC)N(CC=C)CC=C
InChIInChI=1S/C20H35N/c1-6-11-13-16-20(21(17-9-4)18-10-5)19(14-8-3)15-12-7-2/h7-10,19-20H,2-6,11-18H2,1H3
InChIKeyRUNBZWIJEAUOJO-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
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 N,N,5-tris(prop-2-enyl)undec-1-en-6-amine?
The IUPAC name of N,N,5-tris(prop-2-enyl)undec-1-en-6-amine (CID 90032235) is N,N,5-tris(prop-2-enyl)undec-1-en-6-amine.
What is the SMILES notation for N,N,5-tris(prop-2-enyl)undec-1-en-6-amine?
The canonical SMILES for N,N,5-tris(prop-2-enyl)undec-1-en-6-amine is C=CCCC(CC=C)C(CCCCC)N(CC=C)CC=C.
What is the InChIKey of N,N,5-tris(prop-2-enyl)undec-1-en-6-amine?
The InChIKey is RUNBZWIJEAUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-11-13-16-20(21(17-9-4)18-10-5)19(14-8-3)15-12-7-2/h7-10,19-20H,2-6,11-18H2,1H3.
What are the key properties of N,N,5-tris(prop-2-enyl)undec-1-en-6-amine?
N,N,5-tris(prop-2-enyl)undec-1-en-6-amine has a molecular weight of 289.51 g/mol, XLogP of 5.77, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-tris(prop-2-enyl)undec-1-en-6-amine is sourced from PubChem (CID 90032235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).