N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine

C17H29N — CID 105140044

IUPACN,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
SMILESCNC(CCc1ccccc1C)CCC(C)(C)C
InChIInChI=1S/C17H29N/c1-14-8-6-7-9-15(14)10-11-16(18-5)12-13-17(2,3)4/h6-9,16,18H,10-13H2,1-5H3
InChIKeyKLYUZNLTXCHGIJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds6

About N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine

N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine (PubChem CID 105140044) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine.

Molecular Properties

Compound NameN,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
PubChem CID105140044
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
SMILESCNC(CCc1ccccc1C)CCC(C)(C)C
InChIInChI=1S/C17H29N/c1-14-8-6-7-9-15(14)10-11-16(18-5)12-13-17(2,3)4/h6-9,16,18H,10-13H2,1-5H3
InChIKeyKLYUZNLTXCHGIJ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105165085
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
CID 105138690
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 63528467
N,5,5-trimethyl-1-(3-methyl-2-pyridinyl)hexan-2-amine
CID 114212784

Frequently Asked Questions

What is the IUPAC name of N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine?
The IUPAC name of N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine (CID 105140044) is N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine.
What is the SMILES notation for N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine?
The canonical SMILES for N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine is CNC(CCc1ccccc1C)CCC(C)(C)C.
What is the InChIKey of N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine?
The InChIKey is KLYUZNLTXCHGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14-8-6-7-9-15(14)10-11-16(18-5)12-13-17(2,3)4/h6-9,16,18H,10-13H2,1-5H3.
What are the key properties of N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine?
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105140044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).