4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine

C17H29N — CID 79009148

IUPAC4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
SMILESCCC(C)CC(C)NC(CC)Cc1ccccc1
InChIInChI=1S/C17H29N/c1-5-14(3)12-15(4)18-17(6-2)13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,5-6,12-13H2,1-4H3
InChIKeyCEYUJABODXKHKL-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.42
Rot. Bonds8

About 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine

4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine (PubChem CID 79009148) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
PubChem CID79009148
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
SMILESCCC(C)CC(C)NC(CC)Cc1ccccc1
InChIInChI=1S/C17H29N/c1-5-14(3)12-15(4)18-17(6-2)13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,5-6,12-13H2,1-4H3
InChIKeyCEYUJABODXKHKL-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methyl-1-phenylhexan-2-yl)hydrazine
CID 105195322
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
(4-ethyl-1-phenylhexan-2-yl)hydrazine
CID 105195385
ethyl 2-(1-phenylbutan-2-ylamino)propanoate
CID 79008142
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
N-methoxy-1-phenylbutan-2-amine
CID 82707148
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine?
The IUPAC name of 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine (CID 79009148) is 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine.
What is the SMILES notation for 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine?
The canonical SMILES for 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine is CCC(C)CC(C)NC(CC)Cc1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine?
The InChIKey is CEYUJABODXKHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-14(3)12-15(4)18-17(6-2)13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,5-6,12-13H2,1-4H3.
What are the key properties of 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine?
4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine is sourced from PubChem (CID 79009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).