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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl(1-hydroxypropan-2-yl)carbamic acid
CID 69264268
N-cyclobutyl-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 119799922
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619
cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid
CID 87182283
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79408924
2-[(3-chlorophenyl)-[3-[cyclohexyl-[1-(methylamino)propan-2-yl]carbamoyl]phenyl]methoxy]ethylcarbamic acid
CID 68726399
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681

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).