3-methyl-1-phenylundecan-1-amine

C18H31N — CID 174237329

IUPAC3-methyl-1-phenylundecan-1-amine
SMILESCCCCCCCCC(C)CC(N)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-4-5-6-7-9-12-16(2)15-18(19)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,3-7,9,12,15,19H2,1-2H3
InChIKeyYMIXAINIIWYFPL-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.46
Rot. Bonds10

About 3-methyl-1-phenylundecan-1-amine

3-methyl-1-phenylundecan-1-amine (PubChem CID 174237329) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-methyl-1-phenylundecan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenylundecan-1-amine
PubChem CID174237329
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-methyl-1-phenylundecan-1-amine
SMILESCCCCCCCCC(C)CC(N)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-4-5-6-7-9-12-16(2)15-18(19)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,3-7,9,12,15,19H2,1-2H3
InChIKeyYMIXAINIIWYFPL-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.46
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-1-phenyldodecyl)benzene
CID 91396098
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-phenylhexan-1-amine;hydrochloride
CID 3033249
2-pentoxy-1-phenylethanamine
CID 43275081
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylundecan-1-amine?
The IUPAC name of 3-methyl-1-phenylundecan-1-amine (CID 174237329) is 3-methyl-1-phenylundecan-1-amine.
What is the SMILES notation for 3-methyl-1-phenylundecan-1-amine?
The canonical SMILES for 3-methyl-1-phenylundecan-1-amine is CCCCCCCCC(C)CC(N)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenylundecan-1-amine?
The InChIKey is YMIXAINIIWYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-4-5-6-7-9-12-16(2)15-18(19)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,3-7,9,12,15,19H2,1-2H3.
What are the key properties of 3-methyl-1-phenylundecan-1-amine?
3-methyl-1-phenylundecan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylundecan-1-amine is sourced from PubChem (CID 174237329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).