tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate

C15H30N2O3 — CID 103387621

IUPACtert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCCOCC1CC1
InChIInChI=1S/C15H30N2O3/c1-12(10-17-14(18)20-15(2,3)4)16-8-5-9-19-11-13-6-7-13/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyYNEGLVXNSMYIHO-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.31
Rot. Bonds9

About tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate

tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate (PubChem CID 103387621) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
PubChem CID103387621
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCCOCC1CC1
InChIInChI=1S/C15H30N2O3/c1-12(10-17-14(18)20-15(2,3)4)16-8-5-9-19-11-13-6-7-13/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyYNEGLVXNSMYIHO-UHFFFAOYSA-N
XLogP2.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[2-(3-methylsulfinylpropylamino)propyl]carbamate
CID 103391026
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
CID 102730363
tert-butyl N-[2-[3-(4-methylpiperazin-1-yl)propylamino]propyl]carbamate
CID 103387457
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate (CID 103387621) is tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCCCOCC1CC1.
What is the InChIKey of tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate?
The InChIKey is YNEGLVXNSMYIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(10-17-14(18)20-15(2,3)4)16-8-5-9-19-11-13-6-7-13/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate?
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate is sourced from PubChem (CID 103387621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).