N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C12H23ClN2O — CID 120653330

IUPACN-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1C2CCCC21.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-13-8(2)7-14-12(15)11-9-5-4-6-10(9)11;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H/t8-,9?,10?,11?;/m1./s1
InChIKeyRCRDUUWCFMEOTH-XBPGLXQBSA-N
MW246.78 g/mol
LogP1.57
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 120653330) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID120653330
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1C2CCCC21.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-13-8(2)7-14-12(15)11-9-5-4-6-10(9)11;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H/t8-,9?,10?,11?;/m1./s1
InChIKeyRCRDUUWCFMEOTH-XBPGLXQBSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-[(2R)-2-(ethylamino)propyl]oxane-4-carboxamide;hydrochloride
CID 120650436
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
2-cyclohexyloxy-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120654844
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119525798
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120650988
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650989

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 120653330) is N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1C2CCCC21.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is RCRDUUWCFMEOTH-XBPGLXQBSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-3-13-8(2)7-14-12(15)11-9-5-4-6-10(9)11;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H/t8-,9?,10?,11?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 120653330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).