3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine

C17H34NP — CID 139293772

IUPAC3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine
SMILESC=C(P)CCNC(=C)C(C)C(C)(C)CCC(C)CC
InChIInChI=1S/C17H34NP/c1-8-13(2)9-11-17(6,7)15(4)16(5)18-12-10-14(3)19/h13,15,18H,3,5,8-12,19H2,1-2,4,6-7H3
InChIKeyFJSVEFVHROWICK-UHFFFAOYSA-N
MW283.44 g/mol
LogP5.36
Rot. Bonds10

About 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine

3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine (PubChem CID 139293772) has the molecular formula C17H34NP and a molecular weight of 283.44 g/mol. Its IUPAC name is 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine.

Molecular Properties

Compound Name3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine
PubChem CID139293772
Molecular FormulaC17H34NP
Molecular Weight283.44 g/mol
Exact Mass283.24
IUPAC Name3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine
SMILESC=C(P)CCNC(=C)C(C)C(C)(C)CCC(C)CC
InChIInChI=1S/C17H34NP/c1-8-13(2)9-11-17(6,7)15(4)16(5)18-12-10-14(3)19/h13,15,18H,3,5,8-12,19H2,1-2,4,6-7H3
InChIKeyFJSVEFVHROWICK-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine?
The IUPAC name of 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine (CID 139293772) is 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine.
What is the SMILES notation for 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine?
The canonical SMILES for 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine is C=C(P)CCNC(=C)C(C)C(C)(C)CCC(C)CC.
What is the InChIKey of 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine?
The InChIKey is FJSVEFVHROWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NP/c1-8-13(2)9-11-17(6,7)15(4)16(5)18-12-10-14(3)19/h13,15,18H,3,5,8-12,19H2,1-2,4,6-7H3.
What are the key properties of 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine?
3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine has a molecular weight of 283.44 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,7-tetramethyl-N-(3-phosphanylbut-3-enyl)non-1-en-2-amine is sourced from PubChem (CID 139293772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).