7-methyl-6-phenyl-N-propylnon-1-en-5-amine

C19H31N — CID 104987564

IUPAC7-methyl-6-phenyl-N-propylnon-1-en-5-amine
SMILESC=CCCC(NCCC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H31N/c1-5-8-14-18(20-15-6-2)19(16(4)7-3)17-12-10-9-11-13-17/h5,9-13,16,18-20H,1,6-8,14-15H2,2-4H3
InChIKeyDYMPBZGVCYQQAS-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.15
Rot. Bonds10

About 7-methyl-6-phenyl-N-propylnon-1-en-5-amine

7-methyl-6-phenyl-N-propylnon-1-en-5-amine (PubChem CID 104987564) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 7-methyl-6-phenyl-N-propylnon-1-en-5-amine.

Molecular Properties

Compound Name7-methyl-6-phenyl-N-propylnon-1-en-5-amine
PubChem CID104987564
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name7-methyl-6-phenyl-N-propylnon-1-en-5-amine
SMILESC=CCCC(NCCC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H31N/c1-5-8-14-18(20-15-6-2)19(16(4)7-3)17-12-10-9-11-13-17/h5,9-13,16,18-20H,1,6-8,14-15H2,2-4H3
InChIKeyDYMPBZGVCYQQAS-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-phenyl-N-propylnon-1-en-5-amine?
The IUPAC name of 7-methyl-6-phenyl-N-propylnon-1-en-5-amine (CID 104987564) is 7-methyl-6-phenyl-N-propylnon-1-en-5-amine.
What is the SMILES notation for 7-methyl-6-phenyl-N-propylnon-1-en-5-amine?
The canonical SMILES for 7-methyl-6-phenyl-N-propylnon-1-en-5-amine is C=CCCC(NCCC)C(c1ccccc1)C(C)CC.
What is the InChIKey of 7-methyl-6-phenyl-N-propylnon-1-en-5-amine?
The InChIKey is DYMPBZGVCYQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-8-14-18(20-15-6-2)19(16(4)7-3)17-12-10-9-11-13-17/h5,9-13,16,18-20H,1,6-8,14-15H2,2-4H3.
What are the key properties of 7-methyl-6-phenyl-N-propylnon-1-en-5-amine?
7-methyl-6-phenyl-N-propylnon-1-en-5-amine has a molecular weight of 273.46 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenyl-N-propylnon-1-en-5-amine is sourced from PubChem (CID 104987564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).