4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine

C14H22N2 — CID 79351630

IUPAC4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NC1C(C)(C)C1(C)C
InChIInChI=1S/C14H22N2/c1-9-6-7-10(15)8-11(9)16-12-13(2,3)14(12,4)5/h6-8,12,16H,15H2,1-5H3
InChIKeyDDFSGWHJJVVZBD-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.42
Rot. Bonds2

About 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine

4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine (PubChem CID 79351630) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
PubChem CID79351630
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NC1C(C)(C)C1(C)C
InChIInChI=1S/C14H22N2/c1-9-6-7-10(15)8-11(9)16-12-13(2,3)14(12,4)5/h6-8,12,16H,15H2,1-5H3
InChIKeyDDFSGWHJJVVZBD-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
2-(5-amino-2-methylanilino)cyclohexan-1-ol
CID 62590729
4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
CID 62589807
4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
CID 103590549
3-N-(1,1-dioxothian-4-yl)-4-methylbenzene-1,3-diamine
CID 55091795
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590491
N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide
CID 129046716
3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine
CID 79352829
4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65470253
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
2-methylbenzene-1,4-diamine;sulfane
CID 174900310

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine (CID 79351630) is 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine is Cc1ccc(N)cc1NC1C(C)(C)C1(C)C.
What is the InChIKey of 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine?
The InChIKey is DDFSGWHJJVVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9-6-7-10(15)8-11(9)16-12-13(2,3)14(12,4)5/h6-8,12,16H,15H2,1-5H3.
What are the key properties of 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine?
4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine is sourced from PubChem (CID 79351630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).