tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate

C16H30N2O2 — CID 107237906

IUPACtert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
SMILESCCC1CCCC(NC2CC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-5-11-7-6-8-12(9-11)17-13-10-14(13)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeySFHHPNRYQWDAAY-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate (PubChem CID 107237906) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
PubChem CID107237906
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
SMILESCCC1CCCC(NC2CC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-5-11-7-6-8-12(9-11)17-13-10-14(13)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeySFHHPNRYQWDAAY-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107428855
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate (CID 107237906) is tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate is CCC1CCCC(NC2CC2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate?
The InChIKey is SFHHPNRYQWDAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-11-7-6-8-12(9-11)17-13-10-14(13)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).