ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine

C10H22N2 — CID 171508827

IUPACethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine
SMILESCC.CCNC1CC2C1CN2C
InChIInChI=1S/C8H16N2.C2H6/c1-3-9-7-4-8-6(7)5-10(8)2;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyJJJCAIRBDCAPTL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.32
Rot. Bonds2

About ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine

ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine (PubChem CID 171508827) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine
PubChem CID171508827
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine
SMILESCC.CCNC1CC2C1CN2C
InChIInChI=1S/C8H16N2.C2H6/c1-3-9-7-4-8-6(7)5-10(8)2;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyJJJCAIRBDCAPTL-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1-methylpiperidin-4-yl)cyclopropan-1-amine
CID 130138166
N-ethyl-4-fluoro-1-methylpyrrolidin-3-amine
CID 167270412
(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine
CID 122696200
2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751767
methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
CID 83847982
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
N,1-diethyl-4-methylpyrrolidin-3-amine
CID 130635246
N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine
CID 81199337
N-ethyl-3-methoxy-1-methylpiperidin-4-amine
CID 178010452
(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 175638463
N,3-diethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 89045377
2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
CID 114086633

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine?
The IUPAC name of ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine (CID 171508827) is ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine.
What is the SMILES notation for ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine?
The canonical SMILES for ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine is CC.CCNC1CC2C1CN2C.
What is the InChIKey of ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine?
The InChIKey is JJJCAIRBDCAPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-3-9-7-4-8-6(7)5-10(8)2;1-2/h6-9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine?
ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine has a molecular weight of 170.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methyl-2-azabicyclo[2.2.0]hexan-5-amine is sourced from PubChem (CID 171508827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).