1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one

C14H29N3O — CID 63167112

IUPAC1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCC(N(CC)CC)C1
InChIInChI=1S/C14H29N3O/c1-5-15-10-12(4)14(18)17-9-8-13(11-17)16(6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyWWCFVIRLUHTJDN-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.17
Rot. Bonds7

About 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one

1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one (PubChem CID 63167112) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
PubChem CID63167112
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCC(N(CC)CC)C1
InChIInChI=1S/C14H29N3O/c1-5-15-10-12(4)14(18)17-9-8-13(11-17)16(6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyWWCFVIRLUHTJDN-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502802
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739
3-(ethylamino)-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62854000
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114408986
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
CID 63548994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one (CID 63167112) is 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCC(N(CC)CC)C1.
What is the InChIKey of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one?
The InChIKey is WWCFVIRLUHTJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-15-10-12(4)14(18)17-9-8-13(11-17)16(6-2)7-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one?
1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 63167112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).