ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine

C9H19N2P — CID 142128352

IUPACethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
SMILESCC.[H]/N=C(\P)C1=C(N)CCCC1
InChIInChI=1S/C7H13N2P.C2H6/c8-6-4-2-1-3-5(6)7(9)10;1-2/h9H,1-4,8,10H2;1-2H3/b9-7-;
InChIKeyWBOQKPVGDLVNRE-VILQZVERSA-N
MW186.24 g/mol
LogP2.65
Rot. Bonds1

About ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine

ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine (PubChem CID 142128352) has the molecular formula C9H19N2P and a molecular weight of 186.24 g/mol. Its IUPAC name is ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine.

Molecular Properties

Compound Nameethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
PubChem CID142128352
Molecular FormulaC9H19N2P
Molecular Weight186.24 g/mol
Exact Mass186.13
IUPAC Nameethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
SMILESCC.[H]/N=C(\P)C1=C(N)CCCC1
InChIInChI=1S/C7H13N2P.C2H6/c8-6-4-2-1-3-5(6)7(9)10;1-2/h9H,1-4,8,10H2;1-2H3/b9-7-;
InChIKeyWBOQKPVGDLVNRE-VILQZVERSA-N
XLogP2.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane
CID 142514478
1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one
CID 149352975
ethane;2-methanimidoylcyclohexen-1-amine
CID 142160083
2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide
CID 161486033
2-amino-N'-cyclopropylcyclohexene-1-carboximidamide
CID 142514393
3-amino-2-(2-methylpropanimidoyl)cyclohex-2-en-1-one
CID 145188054
(1Z)-cyclodecene-1,2-diamine
CID 89062858
ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine
CID 145188167
2-methanimidoylcyclohepten-1-amine
CID 126605800
cyclopentane;ethanimidamide
CID 158057030
2-(2-aminocycloocten-1-yl)cycloocten-1-amine
CID 151733576
(1Z)-2-[amino(methyl)amino]cycloocten-1-amine;ethane
CID 163386087

Frequently Asked Questions

What is the IUPAC name of ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine?
The IUPAC name of ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine (CID 142128352) is ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine.
What is the SMILES notation for ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine?
The canonical SMILES for ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine is CC.[H]/N=C(\P)C1=C(N)CCCC1.
What is the InChIKey of ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine?
The InChIKey is WBOQKPVGDLVNRE-VILQZVERSA-N. The full InChI is InChI=1S/C7H13N2P.C2H6/c8-6-4-2-1-3-5(6)7(9)10;1-2/h9H,1-4,8,10H2;1-2H3/b9-7-;.
What are the key properties of ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine?
ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine has a molecular weight of 186.24 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine is sourced from PubChem (CID 142128352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).