4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine

C13H22N2 — CID 83945325

IUPAC4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
SMILESCc1cccc(NCC(N)CC(C)C)c1
InChIInChI=1S/C13H22N2/c1-10(2)7-12(14)9-15-13-6-4-5-11(3)8-13/h4-6,8,10,12,15H,7,9,14H2,1-3H3
InChIKeyWBRWWFZIFYDCDU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.78
Rot. Bonds5

About 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine

4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine (PubChem CID 83945325) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
PubChem CID83945325
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
SMILESCc1cccc(NCC(N)CC(C)C)c1
InChIInChI=1S/C13H22N2/c1-10(2)7-12(14)9-15-13-6-4-5-11(3)8-13/h4-6,8,10,12,15H,7,9,14H2,1-3H3
InChIKeyWBRWWFZIFYDCDU-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylbutyl)aniline
CID 43103774
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
1-N-[3-(diethylaminomethyl)phenyl]-4-methylpentane-1,2-diamine
CID 83962592
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159402
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-(3-methylanilino)propane-1,2-diol
CID 3016394
N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
CID 142295227
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine (CID 83945325) is 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine is Cc1cccc(NCC(N)CC(C)C)c1.
What is the InChIKey of 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine?
The InChIKey is WBRWWFZIFYDCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)7-12(14)9-15-13-6-4-5-11(3)8-13/h4-6,8,10,12,15H,7,9,14H2,1-3H3.
What are the key properties of 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine?
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 83945325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).