[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium

C15H23N2O2+ — CID 86306720

IUPAC[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
SMILES[NH3+]CC1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-10-12-6-8-14(9-7-12)17-15(18)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H,17,18)/p+1
InChIKeyAJYOPGOCTHCBTL-UHFFFAOYSA-O
MW263.36 g/mol
LogP1.71
Rot. Bonds4

About [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium

[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium (PubChem CID 86306720) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium.

Molecular Properties

Compound Name[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
PubChem CID86306720
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
SMILES[NH3+]CC1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-10-12-6-8-14(9-7-12)17-15(18)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H,17,18)/p+1
InChIKeyAJYOPGOCTHCBTL-UHFFFAOYSA-O
XLogP1.71
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[4-(3-oxoprop-2-enyl)cyclohexyl]carbamate
CID 87766641
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958

Frequently Asked Questions

What is the IUPAC name of [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium?
The IUPAC name of [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium (CID 86306720) is [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium.
What is the SMILES notation for [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium?
The canonical SMILES for [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium is [NH3+]CC1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium?
The InChIKey is AJYOPGOCTHCBTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c16-10-12-6-8-14(9-7-12)17-15(18)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H,17,18)/p+1.
What are the key properties of [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium?
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium has a molecular weight of 263.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium is sourced from PubChem (CID 86306720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).