1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine

C13H22N2 — CID 62910764

IUPAC1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
SMILESCCCC(C)N(C)c1ccc(C)c(N)c1
InChIInChI=1S/C13H22N2/c1-5-6-11(3)15(4)12-8-7-10(2)13(14)9-12/h7-9,11H,5-6,14H2,1-4H3
InChIKeyIOGSTBYNIXBODC-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.20
Rot. Bonds4

About 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine

1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine (PubChem CID 62910764) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
PubChem CID62910764
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
SMILESCCCC(C)N(C)c1ccc(C)c(N)c1
InChIInChI=1S/C13H22N2/c1-5-6-11(3)15(4)12-8-7-10(2)13(14)9-12/h7-9,11H,5-6,14H2,1-4H3
InChIKeyIOGSTBYNIXBODC-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N,4-dimethyl-1-N-pentan-3-ylbenzene-1,3-diamine
CID 62910591
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
CID 104612387
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
3-(3-amino-N,4-dimethylanilino)-2-methylpropanenitrile
CID 62912327
1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
CID 82948626
1-N,4-dimethyl-1-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059168
3-[methyl(pentan-2-yl)amino]benzenecarbothioamide
CID 107895714
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
CID 62912336
2-bromo-4-[methyl(pentan-2-yl)amino]benzonitrile
CID 107275971
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine (CID 62910764) is 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine is CCCC(C)N(C)c1ccc(C)c(N)c1.
What is the InChIKey of 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine?
The InChIKey is IOGSTBYNIXBODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-11(3)15(4)12-8-7-10(2)13(14)9-12/h7-9,11H,5-6,14H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine?
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 62910764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).