N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine

C16H27N — CID 83161242

IUPACN,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
SMILESCNC(CCCC(C)C)Cc1ccccc1C
InChIInChI=1S/C16H27N/c1-13(2)8-7-11-16(17-4)12-15-10-6-5-9-14(15)3/h5-6,9-10,13,16-17H,7-8,11-12H2,1-4H3
InChIKeyZJVVWURGODUBKX-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds7

About N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine

N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine (PubChem CID 83161242) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
PubChem CID83161242
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
SMILESCNC(CCCC(C)C)Cc1ccccc1C
InChIInChI=1S/C16H27N/c1-13(2)8-7-11-16(17-4)12-15-10-6-5-9-14(15)3/h5-6,9-10,13,16-17H,7-8,11-12H2,1-4H3
InChIKeyZJVVWURGODUBKX-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 65132723
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine?
The IUPAC name of N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine (CID 83161242) is N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine.
What is the SMILES notation for N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine?
The canonical SMILES for N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine is CNC(CCCC(C)C)Cc1ccccc1C.
What is the InChIKey of N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine?
The InChIKey is ZJVVWURGODUBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)8-7-11-16(17-4)12-15-10-6-5-9-14(15)3/h5-6,9-10,13,16-17H,7-8,11-12H2,1-4H3.
What are the key properties of N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine?
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine is sourced from PubChem (CID 83161242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).