propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid

C9H20N2O2 — CID 87488169

IUPACpropan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid
SMILESCC(C)NCCN(C(=O)O)C(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-5-6-11(8(3)4)9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyHHJBVZOHHSTCDL-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.37
Rot. Bonds5

About propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid

propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid (PubChem CID 87488169) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid.

Molecular Properties

Compound Namepropan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid
PubChem CID87488169
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namepropan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid
SMILESCC(C)NCCN(C(=O)O)C(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-5-6-11(8(3)4)9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyHHJBVZOHHSTCDL-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid?
The IUPAC name of propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid (CID 87488169) is propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid.
What is the SMILES notation for propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid?
The canonical SMILES for propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid is CC(C)NCCN(C(=O)O)C(C)C.
What is the InChIKey of propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid?
The InChIKey is HHJBVZOHHSTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)10-5-6-11(8(3)4)9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid?
propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid has a molecular weight of 188.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid is sourced from PubChem (CID 87488169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).