7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine

C18H29N — CID 107814964

IUPAC7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
SMILESC=C(CNCCCCCCC(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-16(2)11-7-4-5-10-14-19-15-17(3)18-12-8-6-9-13-18/h6,8-9,12-13,16,19H,3-5,7,10-11,14-15H2,1-2H3
InChIKeyHPQQALAAKPPDMT-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.90
Rot. Bonds10

About 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine

7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine (PubChem CID 107814964) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
PubChem CID107814964
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
SMILESC=C(CNCCCCCCC(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-16(2)11-7-4-5-10-14-19-15-17(3)18-12-8-6-9-13-18/h6,8-9,12-13,16,19H,3-5,7,10-11,14-15H2,1-2H3
InChIKeyHPQQALAAKPPDMT-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.90
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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Related Compounds

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N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
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3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
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N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
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1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine
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N-(2-chloroprop-2-enyl)-7-methyloctan-1-amine
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7-methyl-N-(2-phenylpropyl)octan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine (CID 107814964) is 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine is C=C(CNCCCCCCC(C)C)c1ccccc1.
What is the InChIKey of 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine?
The InChIKey is HPQQALAAKPPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-16(2)11-7-4-5-10-14-19-15-17(3)18-12-8-6-9-13-18/h6,8-9,12-13,16,19H,3-5,7,10-11,14-15H2,1-2H3.
What are the key properties of 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine?
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine is sourced from PubChem (CID 107814964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).