N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline

C16H26N2 — CID 43781177

IUPACN-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
SMILESCCC(Nc1ccccc1N1CCCC1)C(C)C
InChIInChI=1S/C16H26N2/c1-4-14(13(2)3)17-15-9-5-6-10-16(15)18-11-7-8-12-18/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3
InChIKeyZPMUEYUPMKNWSD-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.13
Rot. Bonds5

About N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline

N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline (PubChem CID 43781177) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
PubChem CID43781177
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
SMILESCCC(Nc1ccccc1N1CCCC1)C(C)C
InChIInChI=1S/C16H26N2/c1-4-14(13(2)3)17-15-9-5-6-10-16(15)18-11-7-8-12-18/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3
InChIKeyZPMUEYUPMKNWSD-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylaniline
CID 64917339
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43781182
2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469461
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
CID 107441483
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
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline (CID 43781177) is N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline is CCC(Nc1ccccc1N1CCCC1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline?
The InChIKey is ZPMUEYUPMKNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14(13(2)3)17-15-9-5-6-10-16(15)18-11-7-8-12-18/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline?
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43781177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).