cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid

C12H24N2O2 — CID 69262893

IUPACcycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid
SMILESCNCC(C)N(C(=O)O)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(9-13-2)14(12(15)16)11-7-5-3-4-6-8-11/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyJFOHPGREPCLHTC-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.30
Rot. Bonds4

About cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid

cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid (PubChem CID 69262893) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Namecycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid
PubChem CID69262893
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namecycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid
SMILESCNCC(C)N(C(=O)O)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(9-13-2)14(12(15)16)11-7-5-3-4-6-8-11/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyJFOHPGREPCLHTC-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid?
The IUPAC name of cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid (CID 69262893) is cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid?
The canonical SMILES for cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid is CNCC(C)N(C(=O)O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid?
The InChIKey is JFOHPGREPCLHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(9-13-2)14(12(15)16)11-7-5-3-4-6-8-11/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid?
cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 69262893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).