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

C14H23N3 — CID 62990067

IUPAC4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
SMILESCC(CNc1ccc(N)cc1)CN1CCCC1
InChIInChI=1S/C14H23N3/c1-12(11-17-8-2-3-9-17)10-16-14-6-4-13(15)5-7-14/h4-7,12,16H,2-3,8-11,15H2,1H3
InChIKeyKUXFSVUSIQYIKC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.41
Rot. Bonds5

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

4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine (PubChem CID 62990067) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
PubChem CID62990067
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
SMILESCC(CNc1ccc(N)cc1)CN1CCCC1
InChIInChI=1S/C14H23N3/c1-12(11-17-8-2-3-9-17)10-16-14-6-4-13(15)5-7-14/h4-7,12,16H,2-3,8-11,15H2,1H3
InChIKeyKUXFSVUSIQYIKC-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 62989891
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80647967
5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991663
6-methoxy-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 62991684
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 62994209
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-nitroaniline
CID 62992142
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
CID 79918788
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
CID 83961012
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204138
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine (CID 62990067) is 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine is CC(CNc1ccc(N)cc1)CN1CCCC1.
What is the InChIKey of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
The InChIKey is KUXFSVUSIQYIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(11-17-8-2-3-9-17)10-16-14-6-4-13(15)5-7-14/h4-7,12,16H,2-3,8-11,15H2,1H3.
What are the key properties of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 62990067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).