2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol

C11H22N2O — CID 173299225

IUPAC2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol
SMILESCC(C)C(N)=C/C(=N/CCO)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10(12)7-11(9(3)4)13-5-6-14/h7-9,14H,5-6,12H2,1-4H3/b10-7?,13-11-
InChIKeyWQWQSLRCRNWCDZ-VUXHJTBKSA-N
MW198.31 g/mol
LogP1.57
Rot. Bonds5

About 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol

2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol (PubChem CID 173299225) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol
PubChem CID173299225
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol
SMILESCC(C)C(N)=C/C(=N/CCO)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10(12)7-11(9(3)4)13-5-6-14/h7-9,14H,5-6,12H2,1-4H3/b10-7?,13-11-
InChIKeyWQWQSLRCRNWCDZ-VUXHJTBKSA-N
XLogP1.57
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide
CID 176713937
4-methylpent-2-en-3-amine
CID 72590374
4-methylpent-2-ene-1,3-diamine
CID 175534446
ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
ethane;N'-(2-hydroxyethyl)-4-(3-methylbutan-2-yl)benzenecarboximidamide
CID 176944105
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
(Z)-2-amino-3-methylbut-1-ene-1-thiol
CID 88580233
2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
CID 18769831
2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride
CID 86626230
(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
CID 154587364
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol?
The IUPAC name of 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol (CID 173299225) is 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol?
The canonical SMILES for 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol is CC(C)C(N)=C/C(=N/CCO)C(C)C.
What is the InChIKey of 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol?
The InChIKey is WQWQSLRCRNWCDZ-VUXHJTBKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)10(12)7-11(9(3)4)13-5-6-14/h7-9,14H,5-6,12H2,1-4H3/b10-7?,13-11-.
What are the key properties of 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol?
2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol is sourced from PubChem (CID 173299225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).