butan-2-amine;butan-2-ylcarbamic acid

C9H22N2O2 — CID 15122513

IUPACbutan-2-amine;butan-2-ylcarbamic acid
SMILESCCC(C)N.CCC(C)NC(=O)O
InChIInChI=1S/C5H11NO2.C4H11N/c1-3-4(2)6-5(7)8;1-3-4(2)5/h4,6H,3H2,1-2H3,(H,7,8);4H,3,5H2,1-2H3
InChIKeyNSADEYWZPTXRIY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.80
Rot. Bonds3

About butan-2-amine;butan-2-ylcarbamic acid

butan-2-amine;butan-2-ylcarbamic acid (PubChem CID 15122513) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is butan-2-amine;butan-2-ylcarbamic acid.

Molecular Properties

Compound Namebutan-2-amine;butan-2-ylcarbamic acid
PubChem CID15122513
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Namebutan-2-amine;butan-2-ylcarbamic acid
SMILESCCC(C)N.CCC(C)NC(=O)O
InChIInChI=1S/C5H11NO2.C4H11N/c1-3-4(2)6-5(7)8;1-3-4(2)5/h4,6H,3H2,1-2H3,(H,7,8);4H,3,5H2,1-2H3
InChIKeyNSADEYWZPTXRIY-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-amine;butan-2-ylcarbamic acid?
The IUPAC name of butan-2-amine;butan-2-ylcarbamic acid (CID 15122513) is butan-2-amine;butan-2-ylcarbamic acid.
What is the SMILES notation for butan-2-amine;butan-2-ylcarbamic acid?
The canonical SMILES for butan-2-amine;butan-2-ylcarbamic acid is CCC(C)N.CCC(C)NC(=O)O.
What is the InChIKey of butan-2-amine;butan-2-ylcarbamic acid?
The InChIKey is NSADEYWZPTXRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H11N/c1-3-4(2)6-5(7)8;1-3-4(2)5/h4,6H,3H2,1-2H3,(H,7,8);4H,3,5H2,1-2H3.
What are the key properties of butan-2-amine;butan-2-ylcarbamic acid?
butan-2-amine;butan-2-ylcarbamic acid has a molecular weight of 190.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;butan-2-ylcarbamic acid is sourced from PubChem (CID 15122513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).