tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate

C12H25N3O2 — CID 102729530

IUPACtert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
SMILESCN(C1CC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-8-10(7-13)15(4)9-5-6-9/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyFWDVJELZCOOXFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.93
Rot. Bonds5

About tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate

tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate (PubChem CID 102729530) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
PubChem CID102729530
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
SMILESCN(C1CC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-8-10(7-13)15(4)9-5-6-9/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyFWDVJELZCOOXFE-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
CID 102729795
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
CID 102730363
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 102729991
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
CID 130935352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate (CID 102729530) is tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate is CN(C1CC1)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate?
The InChIKey is FWDVJELZCOOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-8-10(7-13)15(4)9-5-6-9/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate is sourced from PubChem (CID 102729530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).