ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide

C9H20N2O — CID 145231026

IUPACethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
SMILESCC.CN1CCC(CNC=O)C1
InChIInChI=1S/C7H14N2O.C2H6/c1-9-3-2-7(5-9)4-8-6-10;1-2/h6-7H,2-5H2,1H3,(H,8,10);1-2H3
InChIKeyNDPCCYGRUCUQDA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.71
Rot. Bonds3

About ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide

ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide (PubChem CID 145231026) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide.

Molecular Properties

Compound Nameethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
PubChem CID145231026
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
SMILESCC.CN1CCC(CNC=O)C1
InChIInChI=1S/C7H14N2O.C2H6/c1-9-3-2-7(5-9)4-8-6-10;1-2/h6-7H,2-5H2,1H3,(H,8,10);1-2H3
InChIKeyNDPCCYGRUCUQDA-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
methyl (E)-3-[(1-methylpyrrolidin-3-yl)methylamino]prop-2-enoate
CID 103239678
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide
CID 64992436
N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide
CID 174528757
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60856288
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
N-[(4-ethylcyclohexyl)methyl]formamide
CID 64992922
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide?
The IUPAC name of ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide (CID 145231026) is ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide.
What is the SMILES notation for ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide?
The canonical SMILES for ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide is CC.CN1CCC(CNC=O)C1.
What is the InChIKey of ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide?
The InChIKey is NDPCCYGRUCUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-9-3-2-7(5-9)4-8-6-10;1-2/h6-7H,2-5H2,1H3,(H,8,10);1-2H3.
What are the key properties of ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide?
ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide is sourced from PubChem (CID 145231026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).