tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate

C17H32N2O2 — CID 107237944

IUPACtert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
SMILESCC1CC(NC2CC2NC(=O)OC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-11-7-12(10-17(5,6)9-11)18-13-8-14(13)19-15(20)21-16(2,3)4/h11-14,18H,7-10H2,1-6H3,(H,19,20)
InChIKeyWLYCNFZCVONDBC-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate (PubChem CID 107237944) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
PubChem CID107237944
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
SMILESCC1CC(NC2CC2NC(=O)OC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-11-7-12(10-17(5,6)9-11)18-13-8-14(13)19-15(20)21-16(2,3)4/h11-14,18H,7-10H2,1-6H3,(H,19,20)
InChIKeyWLYCNFZCVONDBC-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(5,5-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107238022
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
CID 107237589
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[3,3-dimethyl-5-(oxan-4-ylamino)cyclohexyl]carbamate
CID 167781892
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopropyl]carbamate
CID 107237603
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate (CID 107237944) is tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate is CC1CC(NC2CC2NC(=O)OC(C)(C)C)CC(C)(C)C1.
What is the InChIKey of tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate?
The InChIKey is WLYCNFZCVONDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11-7-12(10-17(5,6)9-11)18-13-8-14(13)19-15(20)21-16(2,3)4/h11-14,18H,7-10H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).