2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline

C17H29N3 — CID 103959014

IUPAC2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
SMILESCC[C@@H](N)c1ccccc1N(C)CC1CCCN1CC
InChIInChI=1S/C17H29N3/c1-4-16(18)15-10-6-7-11-17(15)19(3)13-14-9-8-12-20(14)5-2/h6-7,10-11,14,16H,4-5,8-9,12-13,18H2,1-3H3/t14?,16-/m1/s1
InChIKeyQBMWALOYKYCDHB-BZSJEYESSA-N
MW275.44 g/mol
LogP3.02
Rot. Bonds6

About 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline

2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline (PubChem CID 103959014) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
PubChem CID103959014
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
SMILESCC[C@@H](N)c1ccccc1N(C)CC1CCCN1CC
InChIInChI=1S/C17H29N3/c1-4-16(18)15-10-6-7-11-17(15)19(3)13-14-9-8-12-20(14)5-2/h6-7,10-11,14,16H,4-5,8-9,12-13,18H2,1-3H3/t14?,16-/m1/s1
InChIKeyQBMWALOYKYCDHB-BZSJEYESSA-N
XLogP3.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
2-(aminomethyl)-3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79303489
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 103958750
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
CID 79304051
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline (CID 103959014) is 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline is CC[C@@H](N)c1ccccc1N(C)CC1CCCN1CC.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
The InChIKey is QBMWALOYKYCDHB-BZSJEYESSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-16(18)15-10-6-7-11-17(15)19(3)13-14-9-8-12-20(14)5-2/h6-7,10-11,14,16H,4-5,8-9,12-13,18H2,1-3H3/t14?,16-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline has a molecular weight of 275.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 103959014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).