N-(3-methyl-2-phenylbutyl)hexan-3-amine

C17H29N — CID 114011776

IUPACN-(3-methyl-2-phenylbutyl)hexan-3-amine
SMILESCCCC(CC)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-5-10-16(6-2)18-13-17(14(3)4)15-11-8-7-9-12-15/h7-9,11-12,14,16-18H,5-6,10,13H2,1-4H3
InChIKeyXVOTYFXJOKOKHW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.59
Rot. Bonds8

About N-(3-methyl-2-phenylbutyl)hexan-3-amine

N-(3-methyl-2-phenylbutyl)hexan-3-amine (PubChem CID 114011776) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(3-methyl-2-phenylbutyl)hexan-3-amine.

Molecular Properties

Compound NameN-(3-methyl-2-phenylbutyl)hexan-3-amine
PubChem CID114011776
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(3-methyl-2-phenylbutyl)hexan-3-amine
SMILESCCCC(CC)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-5-10-16(6-2)18-13-17(14(3)4)15-11-8-7-9-12-15/h7-9,11-12,14,16-18H,5-6,10,13H2,1-4H3
InChIKeyXVOTYFXJOKOKHW-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
N-ethyl-3-phenylheptan-4-amine
CID 83051533
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
3-methyl-2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 106281802
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107875843
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-phenylbutyl)hexan-3-amine?
The IUPAC name of N-(3-methyl-2-phenylbutyl)hexan-3-amine (CID 114011776) is N-(3-methyl-2-phenylbutyl)hexan-3-amine.
What is the SMILES notation for N-(3-methyl-2-phenylbutyl)hexan-3-amine?
The canonical SMILES for N-(3-methyl-2-phenylbutyl)hexan-3-amine is CCCC(CC)NCC(c1ccccc1)C(C)C.
What is the InChIKey of N-(3-methyl-2-phenylbutyl)hexan-3-amine?
The InChIKey is XVOTYFXJOKOKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-10-16(6-2)18-13-17(14(3)4)15-11-8-7-9-12-15/h7-9,11-12,14,16-18H,5-6,10,13H2,1-4H3.
What are the key properties of N-(3-methyl-2-phenylbutyl)hexan-3-amine?
N-(3-methyl-2-phenylbutyl)hexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-phenylbutyl)hexan-3-amine is sourced from PubChem (CID 114011776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).