tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate

C15H31N3O3 — CID 102730363

IUPACtert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
SMILESCN(CCOCC1CC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-15(2,3)21-14(19)17-10-13(9-16)18(4)7-8-20-11-12-5-6-12/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyAZUVJFLAXXKADR-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.20
Rot. Bonds9

About tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate

tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate (PubChem CID 102730363) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
PubChem CID102730363
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Nametert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
SMILESCN(CCOCC1CC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-15(2,3)21-14(19)17-10-13(9-16)18(4)7-8-20-11-12-5-6-12/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyAZUVJFLAXXKADR-UHFFFAOYSA-N
XLogP1.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-amino-2-[methyl(2-phenylmethoxyethyl)amino]propyl]carbamate
CID 131008134
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
CID 102729795
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-[3-amino-2-[(4-fluorophenyl)methyl-methylamino]propyl]carbamate
CID 102729687
tert-butyl N-[3-amino-2-[(4-bromophenyl)methyl-methylamino]propyl]carbamate
CID 102729699
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
CID 102729720
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate (CID 102730363) is tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate is CN(CCOCC1CC1)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate?
The InChIKey is AZUVJFLAXXKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-15(2,3)21-14(19)17-10-13(9-16)18(4)7-8-20-11-12-5-6-12/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate?
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate has a molecular weight of 301.43 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate is sourced from PubChem (CID 102730363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).