tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate

C14H27N3O3 — CID 103390326

IUPACtert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCC(=O)NC1CC1
InChIInChI=1S/C14H27N3O3/c1-10(9-16-13(19)20-14(2,3)4)15-8-7-12(18)17-11-5-6-11/h10-11,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPXQKKFCNSSPZMO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.16
Rot. Bonds7

About tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate

tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate (PubChem CID 103390326) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
PubChem CID103390326
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCC(=O)NC1CC1
InChIInChI=1S/C14H27N3O3/c1-10(9-16-13(19)20-14(2,3)4)15-8-7-12(18)17-11-5-6-11/h10-11,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPXQKKFCNSSPZMO-UHFFFAOYSA-N
XLogP1.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031
tert-butyl N-[3-oxo-3-(thian-4-ylamino)propyl]carbamate
CID 115599752
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate (CID 103390326) is tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCCC(=O)NC1CC1.
What is the InChIKey of tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate?
The InChIKey is PXQKKFCNSSPZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(9-16-13(19)20-14(2,3)4)15-8-7-12(18)17-11-5-6-11/h10-11,15H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate?
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate is sourced from PubChem (CID 103390326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).