1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol

C11H21N3O — CID 143520858

IUPAC1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol
SMILESCC(O)NC1CC=C(/C(N)=C/CN)CC1
InChIInChI=1S/C11H21N3O/c1-8(15)14-10-4-2-9(3-5-10)11(13)6-7-12/h2,6,8,10,14-15H,3-5,7,12-13H2,1H3/b11-6-
InChIKeyJEUATQBUZBXGJM-WDZFZDKYSA-N
MW211.31 g/mol
LogP0.19
Rot. Bonds4

About 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol

1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol (PubChem CID 143520858) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol
PubChem CID143520858
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol
SMILESCC(O)NC1CC=C(/C(N)=C/CN)CC1
InChIInChI=1S/C11H21N3O/c1-8(15)14-10-4-2-9(3-5-10)11(13)6-7-12/h2,6,8,10,14-15H,3-5,7,12-13H2,1H3/b11-6-
InChIKeyJEUATQBUZBXGJM-WDZFZDKYSA-N
XLogP0.19
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol with MolForge

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Related Compounds

1-(Cyclohexen-1-ylmethylamino)ethanol
CID 23342177
1-(Cyclohexen-1-ylamino)ethanol
CID 23342206
5-Amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol
CID 70974372
1-[[(2E,4Z)-7,9-diamino-6-methylidenenona-2,4-dien-3-yl]amino]ethanol
CID 88267700
[[(2Z,4E)-4-(2,3,4,5-tetrahydroindol-1-yl)hepta-2,4,6-trienyl]amino]methanol
CID 89153827
(2E)-4-amino-1-(cyclohexylamino)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-ol
CID 89153937
(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
CID 89394858
(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol
CID 118861825
2-[Ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol
CID 143063461
1-[[4-(Aminomethyl)cyclohexa-1,3-dien-1-yl]methylamino]ethanol
CID 144101696
2-[(4-Methylcyclohexa-1,3-dien-1-yl)amino]ethanol
CID 144374678
(3E)-3-(1-aminoethylidene)-N-butylcyclohexen-1-amine;methanol;molecular hydrogen;hydrate
CID 144511717

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol?
The IUPAC name of 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol (CID 143520858) is 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol.
What is the SMILES notation for 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol?
The canonical SMILES for 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol is CC(O)NC1CC=C(/C(N)=C/CN)CC1.
What is the InChIKey of 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol?
The InChIKey is JEUATQBUZBXGJM-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(15)14-10-4-2-9(3-5-10)11(13)6-7-12/h2,6,8,10,14-15H,3-5,7,12-13H2,1H3/b11-6-.
What are the key properties of 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol?
1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol has a molecular weight of 211.31 g/mol, XLogP of 0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol is sourced from PubChem (CID 143520858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).