N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine

C15H25N — CID 138627440

IUPACN,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(C(CC(C)(C)C)N(C)C)c1
InChIInChI=1S/C15H25N/c1-12-8-7-9-13(10-12)14(16(5)6)11-15(2,3)4/h7-10,14H,11H2,1-6H3
InChIKeyFDOLUVRDASYWKY-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.03
Rot. Bonds3

About N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine

N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine (PubChem CID 138627440) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
PubChem CID138627440
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(C(CC(C)(C)C)N(C)C)c1
InChIInChI=1S/C15H25N/c1-12-8-7-9-13(10-12)14(16(5)6)11-15(2,3)4/h7-10,14H,11H2,1-6H3
InChIKeyFDOLUVRDASYWKY-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
1-[1-[3,3-dimethyl-1-(3-methylphenyl)butoxy]-3,3-dimethylbutyl]-3-methylbenzene
CID 169096962
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
CID 116904978
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 125438511
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine?
The IUPAC name of N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine (CID 138627440) is N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine?
The canonical SMILES for N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine is Cc1cccc(C(CC(C)(C)C)N(C)C)c1.
What is the InChIKey of N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine?
The InChIKey is FDOLUVRDASYWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-8-7-9-13(10-12)14(16(5)6)11-15(2,3)4/h7-10,14H,11H2,1-6H3.
What are the key properties of N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine?
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 138627440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).