ethane;2-methylpentane;pyrrolidine-2-carboxamide

C13H30N2O — CID 177141949

IUPACethane;2-methylpentane;pyrrolidine-2-carboxamide
SMILESCC.CCCC(C)C.NC(=O)C1CCCN1
InChIInChI=1S/C6H14.C5H10N2O.C2H6/c1-4-5-6(2)3;6-5(8)4-2-1-3-7-4;1-2/h6H,4-5H2,1-3H3;4,7H,1-3H2,(H2,6,8);1-2H3
InChIKeyBHNISVUNTAPLNL-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.69
Rot. Bonds3

About ethane;2-methylpentane;pyrrolidine-2-carboxamide

ethane;2-methylpentane;pyrrolidine-2-carboxamide (PubChem CID 177141949) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;2-methylpentane;pyrrolidine-2-carboxamide.

Molecular Properties

Compound Nameethane;2-methylpentane;pyrrolidine-2-carboxamide
PubChem CID177141949
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;2-methylpentane;pyrrolidine-2-carboxamide
SMILESCC.CCCC(C)C.NC(=O)C1CCCN1
InChIInChI=1S/C6H14.C5H10N2O.C2H6/c1-4-5-6(2)3;6-5(8)4-2-1-3-7-4;1-2/h6H,4-5H2,1-3H3;4,7H,1-3H2,(H2,6,8);1-2H3
InChIKeyBHNISVUNTAPLNL-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
3,7-dimethyloctyl (2S)-pyrrolidine-2-carboxylate
CID 170167883
(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
2-propoxy-1-pyrrolidin-2-ylethanone
CID 116547460
pentan-2-yl piperidine-2-carboxylate
CID 102982469
2-methyl-1-pyrrolidin-2-yloctan-1-one
CID 170267083
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
pentan-2-yl azepane-2-carboxylate
CID 102982576
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpentane;pyrrolidine-2-carboxamide?
The IUPAC name of ethane;2-methylpentane;pyrrolidine-2-carboxamide (CID 177141949) is ethane;2-methylpentane;pyrrolidine-2-carboxamide.
What is the SMILES notation for ethane;2-methylpentane;pyrrolidine-2-carboxamide?
The canonical SMILES for ethane;2-methylpentane;pyrrolidine-2-carboxamide is CC.CCCC(C)C.NC(=O)C1CCCN1.
What is the InChIKey of ethane;2-methylpentane;pyrrolidine-2-carboxamide?
The InChIKey is BHNISVUNTAPLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H10N2O.C2H6/c1-4-5-6(2)3;6-5(8)4-2-1-3-7-4;1-2/h6H,4-5H2,1-3H3;4,7H,1-3H2,(H2,6,8);1-2H3.
What are the key properties of ethane;2-methylpentane;pyrrolidine-2-carboxamide?
ethane;2-methylpentane;pyrrolidine-2-carboxamide has a molecular weight of 230.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpentane;pyrrolidine-2-carboxamide is sourced from PubChem (CID 177141949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).