amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol

C9H16N2O — CID 70668155

IUPACamino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
SMILESCCNC1C=CC(C(N)O)=CC1
InChIInChI=1S/C9H16N2O/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-5,8-9,11-12H,2,6,10H2,1H3
InChIKeyQHMWXCOYEGBVMZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.13
Rot. Bonds3

About amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol

amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 70668155) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Nameamino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID70668155
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameamino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
SMILESCCNC1C=CC(C(N)O)=CC1
InChIInChI=1S/C9H16N2O/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-5,8-9,11-12H,2,6,10H2,1H3
InChIKeyQHMWXCOYEGBVMZ-UHFFFAOYSA-N
XLogP0.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)ethanol
CID 20467338
[4-(Diethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 68213053
6-(1-Hydroxypropylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69575622
(3-Aminocyclohexa-1,5-dien-1-yl)-[di(propan-2-yl)amino]methanol
CID 70892384
(4-Amino-3,5-dimethylcyclohexa-1,5-dien-1-yl)-(propan-2-ylamino)methanol
CID 70892480
(Z)-6-[[hydroxy-[4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]amino]hex-3-enamide
CID 70892537
(Z)-1-(ethylamino)-4-[6-(methylamino)cyclohexa-1,3-dien-1-yl]but-3-en-1-ol
CID 70914779
(4-Amino-4-methylcyclohexa-1,5-dien-1-yl)-(cyclohexylamino)methanol
CID 70974445
(Z,2E)-5-amino-2-propylidenehex-3-en-1-ol
CID 88270604
(Z)-6-amino-1-(cyclohexylamino)-2-methylidenehex-3-en-1-ol
CID 89073623
(3Z)-1-[(3-aminocyclohexa-2,4-dien-1-yl)amino]-2-methyl-5-(methylamino)hexa-3,5-dien-1-ol
CID 89073918
(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol
CID 89073953

Frequently Asked Questions

What is the IUPAC name of amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol (CID 70668155) is amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol is CCNC1C=CC(C(N)O)=CC1.
What is the InChIKey of amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is QHMWXCOYEGBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-5,8-9,11-12H,2,6,10H2,1H3.
What are the key properties of amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol?
amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 70668155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).