tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate

C14H27N3O3 — CID 79458834

IUPACtert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCC(N)=O)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-11-6-4-5-10(9-11)16-8-7-12(15)18/h10-11,16H,4-9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyWOWKDQBKZFKQAU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.29
Rot. Bonds5

About tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate

tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate (PubChem CID 79458834) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
PubChem CID79458834
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCC(N)=O)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-11-6-4-5-10(9-11)16-8-7-12(15)18/h10-11,16H,4-9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyWOWKDQBKZFKQAU-UHFFFAOYSA-N
XLogP1.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 103720208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate (CID 79458834) is tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCCC(N)=O)C1.
What is the InChIKey of tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate?
The InChIKey is WOWKDQBKZFKQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-11-6-4-5-10(9-11)16-8-7-12(15)18/h10-11,16H,4-9H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate?
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 79458834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).