N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane

C13H30N2O — CID 156647639

IUPACN,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane
SMILESCC.CC.CNC(=O)C1(C(C)C)CN(C)C1
InChIInChI=1S/C9H18N2O.2C2H6/c1-7(2)9(8(12)10-3)5-11(4)6-9;2*1-2/h7H,5-6H2,1-4H3,(H,10,12);2*1-2H3
InChIKeyIVQAVPPLUZIXMO-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.37
Rot. Bonds2

About N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane

N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane (PubChem CID 156647639) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane.

Molecular Properties

Compound NameN,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane
PubChem CID156647639
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane
SMILESCC.CC.CNC(=O)C1(C(C)C)CN(C)C1
InChIInChI=1S/C9H18N2O.2C2H6/c1-7(2)9(8(12)10-3)5-11(4)6-9;2*1-2/h7H,5-6H2,1-4H3,(H,10,12);2*1-2H3
InChIKeyIVQAVPPLUZIXMO-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
CID 137474317
N,1,3-tri(propan-2-yl)azetidine-3-carboxamide
CID 156628313
N,1-dimethyl-4-(methylamino)piperidine-4-carboxamide;ethane
CID 143439859
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
N,6-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 178020001
1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459653
N-(1,3-dimethylazetidin-3-yl)-2-methoxypropanamide
CID 130667102
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 134410201
1-fluoro-N-methylcyclobutane-1-carboxamide
CID 130266037
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984299

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane?
The IUPAC name of N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane (CID 156647639) is N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane.
What is the SMILES notation for N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane?
The canonical SMILES for N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane is CC.CC.CNC(=O)C1(C(C)C)CN(C)C1.
What is the InChIKey of N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane?
The InChIKey is IVQAVPPLUZIXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2C2H6/c1-7(2)9(8(12)10-3)5-11(4)6-9;2*1-2/h7H,5-6H2,1-4H3,(H,10,12);2*1-2H3.
What are the key properties of N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane?
N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane has a molecular weight of 230.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane is sourced from PubChem (CID 156647639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).