tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate

C18H37N3O2 — CID 103720194

IUPACtert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
SMILESCCN(CC)CC(C)NC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-7-21(8-2)13-14(3)19-15-10-9-11-16(12-15)20-17(22)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3,(H,20,22)
InChIKeyKWJAQXKNZJTUMV-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.14
Rot. Bonds7

About tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate

tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate (PubChem CID 103720194) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
PubChem CID103720194
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
SMILESCCN(CC)CC(C)NC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-7-21(8-2)13-14(3)19-15-10-9-11-16(12-15)20-17(22)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3,(H,20,22)
InChIKeyKWJAQXKNZJTUMV-UHFFFAOYSA-N
XLogP3.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate (CID 103720194) is tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate is CCN(CC)CC(C)NC1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate?
The InChIKey is KWJAQXKNZJTUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-7-21(8-2)13-14(3)19-15-10-9-11-16(12-15)20-17(22)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103720194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).