2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine

C17H29N3 — CID 79312886

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(C)CNc1ccccc1
InChIInChI=1S/C17H29N3/c1-4-20-12-8-11-17(20)14-19(3)15(2)13-18-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3
InChIKeyYTQGXSDKPXXROJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.90
Rot. Bonds7

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine (PubChem CID 79312886) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
PubChem CID79312886
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(C)CNc1ccccc1
InChIInChI=1S/C17H29N3/c1-4-20-12-8-11-17(20)14-19(3)15(2)13-18-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3
InChIKeyYTQGXSDKPXXROJ-UHFFFAOYSA-N
XLogP2.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
CID 79304051
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
CID 98791947
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054894
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79304236
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 79304465

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine (CID 79312886) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine is CCN1CCCC1CN(C)C(C)CNc1ccccc1.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is YTQGXSDKPXXROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-20-12-8-11-17(20)14-19(3)15(2)13-18-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3.
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 79312886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).