2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine

C18H31N — CID 28511998

IUPAC2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
SMILESCc1ccccc1[C@@H](C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C18H31N/c1-13(2)11-17(12-14(3)4)19-16(6)18-10-8-7-9-15(18)5/h7-10,13-14,16-17,19H,11-12H2,1-6H3/t16-/m1/s1
InChIKeyNDLBUFISGNPJFC-MRXNPFEDSA-N
MW261.45 g/mol
LogP5.11
Rot. Bonds7

About 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine

2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine (PubChem CID 28511998) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
PubChem CID28511998
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
SMILESCc1ccccc1[C@@H](C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C18H31N/c1-13(2)11-17(12-14(3)4)19-16(6)18-10-8-7-9-15(18)5/h7-10,13-14,16-17,19H,11-12H2,1-6H3/t16-/m1/s1
InChIKeyNDLBUFISGNPJFC-MRXNPFEDSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255
2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol
CID 61240308
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine (CID 28511998) is 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine is Cc1ccccc1[C@@H](C)NC(CC(C)C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine?
The InChIKey is NDLBUFISGNPJFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N/c1-13(2)11-17(12-14(3)4)19-16(6)18-10-8-7-9-15(18)5/h7-10,13-14,16-17,19H,11-12H2,1-6H3/t16-/m1/s1.
What are the key properties of 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine?
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine has a molecular weight of 261.45 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine is sourced from PubChem (CID 28511998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).