N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine

C16H27N — CID 62679178

IUPACN-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
SMILESCCNC(Cc1cccc(C)c1)C(C)(C)CC
InChIInChI=1S/C16H27N/c1-6-16(4,5)15(17-7-2)12-14-10-8-9-13(3)11-14/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyVOQUULJTSACNSS-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds6

About N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine

N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine (PubChem CID 62679178) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
PubChem CID62679178
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
SMILESCCNC(Cc1cccc(C)c1)C(C)(C)CC
InChIInChI=1S/C16H27N/c1-6-16(4,5)15(17-7-2)12-14-10-8-9-13(3)11-14/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyVOQUULJTSACNSS-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
CID 105245324
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine (CID 62679178) is N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine is CCNC(Cc1cccc(C)c1)C(C)(C)CC.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine?
The InChIKey is VOQUULJTSACNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(4,5)15(17-7-2)12-14-10-8-9-13(3)11-14/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine?
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 62679178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).