7,8,9-trimethyl-N-propylundec-1-en-2-amine

C17H35N — CID 134414844

IUPAC7,8,9-trimethyl-N-propylundec-1-en-2-amine
SMILESC=C(CCCCC(C)C(C)C(C)CC)NCCC
InChIInChI=1S/C17H35N/c1-7-13-18-16(5)12-10-9-11-15(4)17(6)14(3)8-2/h14-15,17-18H,5,7-13H2,1-4,6H3
InChIKeyLAAATPQUOWAAHO-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.38
Rot. Bonds11

About 7,8,9-trimethyl-N-propylundec-1-en-2-amine

7,8,9-trimethyl-N-propylundec-1-en-2-amine (PubChem CID 134414844) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 7,8,9-trimethyl-N-propylundec-1-en-2-amine.

Molecular Properties

Compound Name7,8,9-trimethyl-N-propylundec-1-en-2-amine
PubChem CID134414844
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name7,8,9-trimethyl-N-propylundec-1-en-2-amine
SMILESC=C(CCCCC(C)C(C)C(C)CC)NCCC
InChIInChI=1S/C17H35N/c1-7-13-18-16(5)12-10-9-11-15(4)17(6)14(3)8-2/h14-15,17-18H,5,7-13H2,1-4,6H3
InChIKeyLAAATPQUOWAAHO-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8,9-trimethyl-N-propylundec-1-en-2-amine?
The IUPAC name of 7,8,9-trimethyl-N-propylundec-1-en-2-amine (CID 134414844) is 7,8,9-trimethyl-N-propylundec-1-en-2-amine.
What is the SMILES notation for 7,8,9-trimethyl-N-propylundec-1-en-2-amine?
The canonical SMILES for 7,8,9-trimethyl-N-propylundec-1-en-2-amine is C=C(CCCCC(C)C(C)C(C)CC)NCCC.
What is the InChIKey of 7,8,9-trimethyl-N-propylundec-1-en-2-amine?
The InChIKey is LAAATPQUOWAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-13-18-16(5)12-10-9-11-15(4)17(6)14(3)8-2/h14-15,17-18H,5,7-13H2,1-4,6H3.
What are the key properties of 7,8,9-trimethyl-N-propylundec-1-en-2-amine?
7,8,9-trimethyl-N-propylundec-1-en-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9-trimethyl-N-propylundec-1-en-2-amine is sourced from PubChem (CID 134414844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).