tert-butyl-[4-(methylamino)butyl]carbamic acid

C10H22N2O2 — CID 52987625

IUPACtert-butyl-[4-(methylamino)butyl]carbamic acid
SMILESCNCCCCN(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)12(9(13)14)8-6-5-7-11-4/h11H,5-8H2,1-4H3,(H,13,14)
InChIKeyHJMPWSZHNNWCPM-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.76
Rot. Bonds5

About tert-butyl-[4-(methylamino)butyl]carbamic acid

tert-butyl-[4-(methylamino)butyl]carbamic acid (PubChem CID 52987625) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl-[4-(methylamino)butyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-(methylamino)butyl]carbamic acid
PubChem CID52987625
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl-[4-(methylamino)butyl]carbamic acid
SMILESCNCCCCN(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)12(9(13)14)8-6-5-7-11-4/h11H,5-8H2,1-4H3,(H,13,14)
InChIKeyHJMPWSZHNNWCPM-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl-[4-(methylamino)butyl]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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methylamino)butyl]carbamic acid?
The IUPAC name of tert-butyl-[4-(methylamino)butyl]carbamic acid (CID 52987625) is tert-butyl-[4-(methylamino)butyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-(methylamino)butyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-(methylamino)butyl]carbamic acid is CNCCCCN(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(methylamino)butyl]carbamic acid?
The InChIKey is HJMPWSZHNNWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)12(9(13)14)8-6-5-7-11-4/h11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl-[4-(methylamino)butyl]carbamic acid?
tert-butyl-[4-(methylamino)butyl]carbamic acid has a molecular weight of 202.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methylamino)butyl]carbamic acid is sourced from PubChem (CID 52987625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).