tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate

C16H30N2O3 — CID 107243978

IUPACtert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCC(O)CC1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-14(11-4-5-11)10-17-12-6-8-13(19)9-7-12/h11-14,17,19H,4-10H2,1-3H3,(H,18,20)
InChIKeySDDPEIUFOXSNGK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.18
Rot. Bonds5

About tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate (PubChem CID 107243978) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
PubChem CID107243978
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCC(O)CC1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-14(11-4-5-11)10-17-12-6-8-13(19)9-7-12/h11-14,17,19H,4-10H2,1-3H3,(H,18,20)
InChIKeySDDPEIUFOXSNGK-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
CID 103872279
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)amino]-1-cyclopropylethyl]carbamate
CID 103872239
tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107243980
tert-butyl N-[1-cyclopropyl-2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethyl]carbamate
CID 103905921
tert-butyl N-[1-cyclopropyl-2-[(3,3-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107244003
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-cyclopropyl-2-[(2-ethylcyclohexyl)amino]ethyl]carbamate
CID 107244035
tert-butyl N-[1-cyclopropyl-2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]carbamate
CID 107243982
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
CID 103905930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate (CID 107243978) is tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CCC(O)CC1)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate?
The InChIKey is SDDPEIUFOXSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-14(11-4-5-11)10-17-12-6-8-13(19)9-7-12/h11-14,17,19H,4-10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate is sourced from PubChem (CID 107243978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).