N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline

C17H26N2 — CID 115916530

IUPACN-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NC(C)CC1CC1
InChIInChI=1S/C17H26N2/c1-13-11-16(19-9-3-4-10-19)7-8-17(13)18-14(2)12-15-5-6-15/h7-8,11,14-15,18H,3-6,9-10,12H2,1-2H3
InChIKeyQXWLIUCTJGFGMC-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.20
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline

N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 115916530) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
PubChem CID115916530
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NC(C)CC1CC1
InChIInChI=1S/C17H26N2/c1-13-11-16(19-9-3-4-10-19)7-8-17(13)18-14(2)12-15-5-6-15/h7-8,11,14-15,18H,3-6,9-10,12H2,1-2H3
InChIKeyQXWLIUCTJGFGMC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80559606
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 43682374
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 64734134
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 110899279
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline (CID 115916530) is N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline is Cc1cc(N2CCCC2)ccc1NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is QXWLIUCTJGFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-11-16(19-9-3-4-10-19)7-8-17(13)18-14(2)12-15-5-6-15/h7-8,11,14-15,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline?
N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 258.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 115916530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).