tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate

C12H24N2O2 — CID 115071660

IUPACtert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
SMILESCNCCCC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(7-8-12)6-5-9-13-4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyKBEJUSZCFAPAGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate

tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate (PubChem CID 115071660) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
PubChem CID115071660
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
SMILESCNCCCC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(7-8-12)6-5-9-13-4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyKBEJUSZCFAPAGX-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate 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

tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-[dideuterio(iodo)methyl]cyclopropyl]carbamate
CID 175970767
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
CID 151766900
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
CID 151052827
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate (CID 115071660) is tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate is CNCCCC1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate?
The InChIKey is KBEJUSZCFAPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(7-8-12)6-5-9-13-4/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate?
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate is sourced from PubChem (CID 115071660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).