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

C13H27N3O2 — CID 102730486

IUPACtert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
SMILESCN(C1CCC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-9-11(8-14)16(4)10-6-5-7-10/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyNQVFNHYBPNOSNT-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.32
Rot. Bonds5

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

tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate (PubChem CID 102730486) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
PubChem CID102730486
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
SMILESCN(C1CCC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-9-11(8-14)16(4)10-6-5-7-10/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyNQVFNHYBPNOSNT-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
CID 102729795
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 102729991
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
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-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
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-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate (CID 102730486) is tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate is CN(C1CCC1)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate?
The InChIKey is NQVFNHYBPNOSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-9-11(8-14)16(4)10-6-5-7-10/h10-11H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.32, 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-[cyclobutyl(methyl)amino]propyl]carbamate is sourced from PubChem (CID 102730486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).