ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C15H30N2O — CID 143767685

IUPACethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCCC1CN1CCCC1
InChIInChI=1S/C13H24N2O.C2H6/c1-11(2)13(16)15-9-5-6-12(15)10-14-7-3-4-8-14;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeyGUXMDYDZCYKSHM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.76
Rot. Bonds3

About ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 143767685) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID143767685
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Nameethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCCC1CN1CCCC1
InChIInChI=1S/C13H24N2O.C2H6/c1-11(2)13(16)15-9-5-6-12(15)10-14-7-3-4-8-14;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeyGUXMDYDZCYKSHM-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 120503246
3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120503245
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119860015
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 143767685) is ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is CC.CC(C)C(=O)N1CCCC1CN1CCCC1.
What is the InChIKey of ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is GUXMDYDZCYKSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C2H6/c1-11(2)13(16)15-9-5-6-12(15)10-14-7-3-4-8-14;1-2/h11-12H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 143767685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).