4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine

C14H23N3 — CID 62912151

IUPAC4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
SMILESCc1ccc(NC(C)CN2CCCC2)cc1N
InChIInChI=1S/C14H23N3/c1-11-5-6-13(9-14(11)15)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,16H,3-4,7-8,10,15H2,1-2H3
InChIKeySGFKZYBSCCCYBH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.47
Rot. Bonds4

About 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine

4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine (PubChem CID 62912151) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
PubChem CID62912151
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
SMILESCc1ccc(NC(C)CN2CCCC2)cc1N
InChIInChI=1S/C14H23N3/c1-11-5-6-13(9-14(11)15)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,16H,3-4,7-8,10,15H2,1-2H3
InChIKeySGFKZYBSCCCYBH-UHFFFAOYSA-N
XLogP2.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62590164
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 62646330
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
4-amino-3-(1-pyrrolidin-1-ylpropan-2-ylamino)benzonitrile
CID 104711678
2-fluoro-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,4-diamine
CID 54952869
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61499911
2-(3-amino-4-methylanilino)-4-methylpentan-1-ol
CID 62911636
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine (CID 62912151) is 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine is Cc1ccc(NC(C)CN2CCCC2)cc1N.
What is the InChIKey of 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine?
The InChIKey is SGFKZYBSCCCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-6-13(9-14(11)15)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,16H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine?
4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 62912151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).