tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate

C15H29N3O3 — CID 141409731

IUPACtert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-9-8-17-12-6-4-11(5-7-12)10-13(16)19/h11-12,17H,4-10H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyCZUVAFYCOHQXFK-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.53
Rot. Bonds6

About tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate

tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate (PubChem CID 141409731) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
PubChem CID141409731
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-9-8-17-12-6-4-11(5-7-12)10-13(16)19/h11-12,17H,4-10H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyCZUVAFYCOHQXFK-UHFFFAOYSA-N
XLogP1.53
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
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-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
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tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
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tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
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CID 62663328
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tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate
CID 103821865
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
CID 123710805
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate (CID 141409731) is tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CCC(CC(N)=O)CC1.
What is the InChIKey of tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate?
The InChIKey is CZUVAFYCOHQXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-9-8-17-12-6-4-11(5-7-12)10-13(16)19/h11-12,17H,4-10H2,1-3H3,(H2,16,19)(H,18,20).
What are the key properties of tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate is sourced from PubChem (CID 141409731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).