N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline

C16H24N2 — CID 43684228

IUPACN-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccccc1N1CCCC1)C1(C)CC1
InChIInChI=1S/C16H24N2/c1-13(16(2)9-10-16)17-14-7-3-4-8-15(14)18-11-5-6-12-18/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyZPJJGXDCRURONB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.89
Rot. Bonds4

About N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline

N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline (PubChem CID 43684228) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
PubChem CID43684228
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccccc1N1CCCC1)C1(C)CC1
InChIInChI=1S/C16H24N2/c1-13(16(2)9-10-16)17-14-7-3-4-8-15(14)18-11-5-6-12-18/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyZPJJGXDCRURONB-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methylcyclopropyl)ethyl]-2-morpholin-4-ylaniline
CID 43717227
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173505
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
CID 104652371
3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
CID 43684258
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43781182
N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylaniline
CID 64917339
2,3-difluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 61076984
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline (CID 43684228) is N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline is CC(Nc1ccccc1N1CCCC1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is ZPJJGXDCRURONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(16(2)9-10-16)17-14-7-3-4-8-15(14)18-11-5-6-12-18/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline?
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 244.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43684228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).