butan-2-yl carbamate;N-methylpropan-1-amine

C9H22N2O2 — CID 175421814

IUPACbutan-2-yl carbamate;N-methylpropan-1-amine
SMILESCCC(C)OC(N)=O.CCCNC
InChIInChI=1S/C5H11NO2.C4H11N/c1-3-4(2)8-5(6)7;1-3-4-5-2/h4H,3H2,1-2H3,(H2,6,7);5H,3-4H2,1-2H3
InChIKeyDAYXMDWOBUVAAL-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.50
Rot. Bonds4

About butan-2-yl carbamate;N-methylpropan-1-amine

butan-2-yl carbamate;N-methylpropan-1-amine (PubChem CID 175421814) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is butan-2-yl carbamate;N-methylpropan-1-amine.

Molecular Properties

Compound Namebutan-2-yl carbamate;N-methylpropan-1-amine
PubChem CID175421814
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Namebutan-2-yl carbamate;N-methylpropan-1-amine
SMILESCCC(C)OC(N)=O.CCCNC
InChIInChI=1S/C5H11NO2.C4H11N/c1-3-4(2)8-5(6)7;1-3-4-5-2/h4H,3H2,1-2H3,(H2,6,7);5H,3-4H2,1-2H3
InChIKeyDAYXMDWOBUVAAL-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
2,3-dimethylpentane;N-methylpropan-1-amine
CID 162382755
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
ethyl 3-carbamoyloxybutanoate
CID 88785770
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565
butan-2-yl (Z)-4-oxo-4-(propylamino)but-2-enoate
CID 139690830
butan-2-yl 2-chloropropanoate
CID 519977
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155

Frequently Asked Questions

What is the IUPAC name of butan-2-yl carbamate;N-methylpropan-1-amine?
The IUPAC name of butan-2-yl carbamate;N-methylpropan-1-amine (CID 175421814) is butan-2-yl carbamate;N-methylpropan-1-amine.
What is the SMILES notation for butan-2-yl carbamate;N-methylpropan-1-amine?
The canonical SMILES for butan-2-yl carbamate;N-methylpropan-1-amine is CCC(C)OC(N)=O.CCCNC.
What is the InChIKey of butan-2-yl carbamate;N-methylpropan-1-amine?
The InChIKey is DAYXMDWOBUVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H11N/c1-3-4(2)8-5(6)7;1-3-4-5-2/h4H,3H2,1-2H3,(H2,6,7);5H,3-4H2,1-2H3.
What are the key properties of butan-2-yl carbamate;N-methylpropan-1-amine?
butan-2-yl carbamate;N-methylpropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl carbamate;N-methylpropan-1-amine is sourced from PubChem (CID 175421814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).