5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine

C15H25N — CID 81350765

IUPAC5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
SMILESCC(C)CCC(C)N[C@H](C)c1ccccc1
InChIInChI=1S/C15H25N/c1-12(2)10-11-13(3)16-14(4)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13?,14-/m1/s1
InChIKeyHDRPNUCPQRKXBZ-ARLHGKGLSA-N
MW219.37 g/mol
LogP4.16
Rot. Bonds6

About 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine

5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine (PubChem CID 81350765) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
PubChem CID81350765
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
SMILESCC(C)CCC(C)N[C@H](C)c1ccccc1
InChIInChI=1S/C15H25N/c1-12(2)10-11-13(3)16-14(4)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13?,14-/m1/s1
InChIKeyHDRPNUCPQRKXBZ-ARLHGKGLSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylethyl)hexan-2-amine
CID 43755937
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine (CID 81350765) is 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine is CC(C)CCC(C)N[C@H](C)c1ccccc1.
What is the InChIKey of 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine?
The InChIKey is HDRPNUCPQRKXBZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)10-11-13(3)16-14(4)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine?
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine is sourced from PubChem (CID 81350765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).