4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine

C14H23N — CID 43175879

IUPAC4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
SMILESCc1ccccc1CCC(N)C(C)(C)C
InChIInChI=1S/C14H23N/c1-11-7-5-6-8-12(11)9-10-13(15)14(2,3)4/h5-8,13H,9-10,15H2,1-4H3
InChIKeyIIAVUQPRYSQSLB-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.30
Rot. Bonds3

About 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine

4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine (PubChem CID 43175879) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
PubChem CID43175879
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
SMILESCc1ccccc1CCC(N)C(C)(C)C
InChIInChI=1S/C14H23N/c1-11-7-5-6-8-12(11)9-10-13(15)14(2,3)4/h5-8,13H,9-10,15H2,1-4H3
InChIKeyIIAVUQPRYSQSLB-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
1-(2-methylphenyl)heptan-3-amine
CID 105125604
4-(2-methylphenyl)butan-2-ylhydrazine
CID 105282545
3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105145474
1-(3,3-dimethoxypropyl)-2-methylbenzene
CID 102208154
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
[1-cyclopropyl-5-(2-methylphenyl)pentan-3-yl]hydrazine
CID 105315024
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine (CID 43175879) is 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine is Cc1ccccc1CCC(N)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine?
The InChIKey is IIAVUQPRYSQSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-7-5-6-8-12(11)9-10-13(15)14(2,3)4/h5-8,13H,9-10,15H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine?
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine is sourced from PubChem (CID 43175879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).