2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane

C10H20N2O — CID 142514478

IUPAC2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane
SMILESCC.[H]/N=C(\CO)C1=C(N)CCCC1
InChIInChI=1S/C8H14N2O.C2H6/c9-7-4-2-1-3-6(7)8(10)5-11;1-2/h10-11H,1-5,9H2;1-2H3/b10-8+;
InChIKeyVDKCNFKDWYUCNK-VRTOBVRTSA-N
MW184.28 g/mol
LogP1.81
Rot. Bonds2

About 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane

2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane (PubChem CID 142514478) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane.

Molecular Properties

Compound Name2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane
PubChem CID142514478
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane
SMILESCC.[H]/N=C(\CO)C1=C(N)CCCC1
InChIInChI=1S/C8H14N2O.C2H6/c9-7-4-2-1-3-6(7)8(10)5-11;1-2/h10-11H,1-5,9H2;1-2H3/b10-8+;
InChIKeyVDKCNFKDWYUCNK-VRTOBVRTSA-N
XLogP1.81
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
CID 142128352
1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one
CID 149352975
ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine
CID 145188167
ethane;2-methanimidoylcyclohexen-1-amine
CID 142160083
2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide
CID 161486033
(1Z)-cyclodecene-1,2-diamine
CID 89062858
(1Z)-2-[amino(methyl)amino]cycloocten-1-amine;ethane
CID 163386087
2-amino-N'-cyclopropylcyclohexene-1-carboximidamide
CID 142514393
2-methanimidoylcyclohepten-1-amine
CID 126605800
3-amino-2-(2-methylpropanimidoyl)cyclohex-2-en-1-one
CID 145188054
1-(cyclopenten-1-yl)propan-1-imine
CID 138500381
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-iminopropanamide
CID 90776813

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane?
The IUPAC name of 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane (CID 142514478) is 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane.
What is the SMILES notation for 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane?
The canonical SMILES for 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane is CC.[H]/N=C(\CO)C1=C(N)CCCC1.
What is the InChIKey of 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane?
The InChIKey is VDKCNFKDWYUCNK-VRTOBVRTSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c9-7-4-2-1-3-6(7)8(10)5-11;1-2/h10-11H,1-5,9H2;1-2H3/b10-8+;.
What are the key properties of 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane?
2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane has a molecular weight of 184.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane is sourced from PubChem (CID 142514478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).