5-methyl-N-(1-phenylbutyl)hexan-1-amine

C17H29N — CID 115324964

IUPAC5-methyl-N-(1-phenylbutyl)hexan-1-amine
SMILESCCCC(NCCCCC(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-4-10-17(16-12-6-5-7-13-16)18-14-9-8-11-15(2)3/h5-7,12-13,15,17-18H,4,8-11,14H2,1-3H3
InChIKeyRUKGWNFULXDUSC-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.94
Rot. Bonds9

About 5-methyl-N-(1-phenylbutyl)hexan-1-amine

5-methyl-N-(1-phenylbutyl)hexan-1-amine (PubChem CID 115324964) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylbutyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(1-phenylbutyl)hexan-1-amine
PubChem CID115324964
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-methyl-N-(1-phenylbutyl)hexan-1-amine
SMILESCCCC(NCCCCC(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-4-10-17(16-12-6-5-7-13-16)18-14-9-8-11-15(2)3/h5-7,12-13,15,17-18H,4,8-11,14H2,1-3H3
InChIKeyRUKGWNFULXDUSC-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.94
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

N-pentyl-1-phenyldecan-1-amine
CID 10380274
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
CID 107814952

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylbutyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(1-phenylbutyl)hexan-1-amine (CID 115324964) is 5-methyl-N-(1-phenylbutyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(1-phenylbutyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(1-phenylbutyl)hexan-1-amine is CCCC(NCCCCC(C)C)c1ccccc1.
What is the InChIKey of 5-methyl-N-(1-phenylbutyl)hexan-1-amine?
The InChIKey is RUKGWNFULXDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-10-17(16-12-6-5-7-13-16)18-14-9-8-11-15(2)3/h5-7,12-13,15,17-18H,4,8-11,14H2,1-3H3.
What are the key properties of 5-methyl-N-(1-phenylbutyl)hexan-1-amine?
5-methyl-N-(1-phenylbutyl)hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenylbutyl)hexan-1-amine is sourced from PubChem (CID 115324964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).