7-methyl-N-(2-phenylpropyl)octan-1-amine

C18H31N — CID 43081304

IUPAC7-methyl-N-(2-phenylpropyl)octan-1-amine
SMILESCC(C)CCCCCCNCC(C)c1ccccc1
InChIInChI=1S/C18H31N/c1-16(2)11-7-4-5-10-14-19-15-17(3)18-12-8-6-9-13-18/h6,8-9,12-13,16-17,19H,4-5,7,10-11,14-15H2,1-3H3
InChIKeyKETJQUWFWODBCS-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.99
Rot. Bonds10

About 7-methyl-N-(2-phenylpropyl)octan-1-amine

7-methyl-N-(2-phenylpropyl)octan-1-amine (PubChem CID 43081304) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 7-methyl-N-(2-phenylpropyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(2-phenylpropyl)octan-1-amine
PubChem CID43081304
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name7-methyl-N-(2-phenylpropyl)octan-1-amine
SMILESCC(C)CCCCCCNCC(C)c1ccccc1
InChIInChI=1S/C18H31N/c1-16(2)11-7-4-5-10-14-19-15-17(3)18-12-8-6-9-13-18/h6,8-9,12-13,16-17,19H,4-5,7,10-11,14-15H2,1-3H3
InChIKeyKETJQUWFWODBCS-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.99
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

3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
CID 107815640
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
ethyl 6-(2-phenylpropylamino)hexanoate
CID 104591443
2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
CID 106709585

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenylpropyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(2-phenylpropyl)octan-1-amine (CID 43081304) is 7-methyl-N-(2-phenylpropyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(2-phenylpropyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(2-phenylpropyl)octan-1-amine is CC(C)CCCCCCNCC(C)c1ccccc1.
What is the InChIKey of 7-methyl-N-(2-phenylpropyl)octan-1-amine?
The InChIKey is KETJQUWFWODBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-16(2)11-7-4-5-10-14-19-15-17(3)18-12-8-6-9-13-18/h6,8-9,12-13,16-17,19H,4-5,7,10-11,14-15H2,1-3H3.
What are the key properties of 7-methyl-N-(2-phenylpropyl)octan-1-amine?
7-methyl-N-(2-phenylpropyl)octan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.99, 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-phenylpropyl)octan-1-amine is sourced from PubChem (CID 43081304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).