1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine

C17H29N — CID 115850527

IUPAC1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-12-9-8-10-15(14(12)3)16(18-7)11-13(2)17(4,5)6/h8-10,13,16,18H,11H2,1-7H3
InChIKeyZNADMQXDEPAWHZ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.64
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine

1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 115850527) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID115850527
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-12-9-8-10-15(14(12)3)16(18-7)11-13(2)17(4,5)6/h8-10,13,16,18H,11H2,1-7H3
InChIKeyZNADMQXDEPAWHZ-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,4,4-tetramethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006583
1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
CID 62691947
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 105052388
1-(2,3-dimethylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844094
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(2,3-dimethylphenyl)-2-(2-methoxyethoxy)-N-methylethanamine
CID 114032782
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine (CID 115850527) is 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is ZNADMQXDEPAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12-9-8-10-15(14(12)3)16(18-7)11-13(2)17(4,5)6/h8-10,13,16,18H,11H2,1-7H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 115850527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).