1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen

C13H30N2O — CID 142890375

IUPAC1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen
SMILESCC(C)(C)C(N)=O.CCCCN1CCCC1.[H][H]
InChIInChI=1S/C8H17N.C5H11NO.H2/c1-2-3-6-9-7-4-5-8-9;1-5(2,3)4(6)7;/h2-8H2,1H3;1-3H3,(H2,6,7);1H
InChIKeyRCUIJXBOIPFXMZ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.65
Rot. Bonds3

About 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen

1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen (PubChem CID 142890375) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen
PubChem CID142890375
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen
SMILESCC(C)(C)C(N)=O.CCCCN1CCCC1.[H][H]
InChIInChI=1S/C8H17N.C5H11NO.H2/c1-2-3-6-9-7-4-5-8-9;1-5(2,3)4(6)7;/h2-8H2,1H3;1-3H3,(H2,6,7);1H
InChIKeyRCUIJXBOIPFXMZ-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
acetic acid;1-nonylpiperidine
CID 175874764
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
1-butylazetidine;ethane
CID 143628082
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen?
The IUPAC name of 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen (CID 142890375) is 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen.
What is the SMILES notation for 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen?
The canonical SMILES for 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen is CC(C)(C)C(N)=O.CCCCN1CCCC1.[H][H].
What is the InChIKey of 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen?
The InChIKey is RCUIJXBOIPFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H11NO.H2/c1-2-3-6-9-7-4-5-8-9;1-5(2,3)4(6)7;/h2-8H2,1H3;1-3H3,(H2,6,7);1H.
What are the key properties of 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen?
1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen has a molecular weight of 230.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen is sourced from PubChem (CID 142890375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).