6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine

C18H29N — CID 155725964

IUPAC6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine
SMILESC/C=C(/NC(CCC)CC(C)CC)c1ccccc1
InChIInChI=1S/C18H29N/c1-5-11-17(14-15(4)6-2)19-18(7-3)16-12-9-8-10-13-16/h7-10,12-13,15,17,19H,5-6,11,14H2,1-4H3/b18-7+
InChIKeyNSZHILMJTNRSLI-CNHKJKLMSA-N
MW259.44 g/mol
LogP5.24
Rot. Bonds8

About 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine

6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine (PubChem CID 155725964) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine
PubChem CID155725964
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine
SMILESC/C=C(/NC(CCC)CC(C)CC)c1ccccc1
InChIInChI=1S/C18H29N/c1-5-11-17(14-15(4)6-2)19-18(7-3)16-12-9-8-10-13-16/h7-10,12-13,15,17,19H,5-6,11,14H2,1-4H3/b18-7+
InChIKeyNSZHILMJTNRSLI-CNHKJKLMSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine?
The IUPAC name of 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine (CID 155725964) is 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine.
What is the SMILES notation for 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine?
The canonical SMILES for 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine is C/C=C(/NC(CCC)CC(C)CC)c1ccccc1.
What is the InChIKey of 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine?
The InChIKey is NSZHILMJTNRSLI-CNHKJKLMSA-N. The full InChI is InChI=1S/C18H29N/c1-5-11-17(14-15(4)6-2)19-18(7-3)16-12-9-8-10-13-16/h7-10,12-13,15,17,19H,5-6,11,14H2,1-4H3/b18-7+.
What are the key properties of 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine?
6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine has a molecular weight of 259.44 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine is sourced from PubChem (CID 155725964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).