4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine

C14H24N2 — CID 62590529

IUPAC4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(CC(C)C)C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)9-16(11(3)4)14-8-13(15)7-6-12(14)5/h6-8,10-11H,9,15H2,1-5H3
InChIKeyPRSBJRQZQRMZMZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.45
Rot. Bonds4

About 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine

4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine (PubChem CID 62590529) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
PubChem CID62590529
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(CC(C)C)C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)9-16(11(3)4)14-8-13(15)7-6-12(14)5/h6-8,10-11H,9,15H2,1-5H3
InChIKeyPRSBJRQZQRMZMZ-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.45
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

4-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 62590706
4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
CID 107869155
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
3-methyl-4-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 55000681
2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 55001105
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280194
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine (CID 62590529) is 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine is Cc1ccc(N)cc1N(CC(C)C)C(C)C.
What is the InChIKey of 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
The InChIKey is PRSBJRQZQRMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)9-16(11(3)4)14-8-13(15)7-6-12(14)5/h6-8,10-11H,9,15H2,1-5H3.
What are the key properties of 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine?
4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 62590529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).