N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine

C12H20N2O2 — CID 131865481

IUPACN-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine
SMILESC=C=C(CN1CCOCC1)C(C)(C)C=NO
InChIInChI=1S/C12H20N2O2/c1-4-11(12(2,3)10-13-15)9-14-5-7-16-8-6-14/h10,15H,1,5-9H2,2-3H3
InChIKeyGCAJKAOMLOOYNW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.52
Rot. Bonds4

About N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine

N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine (PubChem CID 131865481) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine
PubChem CID131865481
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine
SMILESC=C=C(CN1CCOCC1)C(C)(C)C=NO
InChIInChI=1S/C12H20N2O2/c1-4-11(12(2,3)10-13-15)9-14-5-7-16-8-6-14/h10,15H,1,5-9H2,2-3H3
InChIKeyGCAJKAOMLOOYNW-UHFFFAOYSA-N
XLogP1.52
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine
CID 11362000
4-(2-methylbuta-2,3-dienyl)morpholine
CID 14891012
ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine
CID 143021023
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
2-methyl-3-morpholin-4-ylprop-1-en-1-one
CID 87850524
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757490
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
(Z)-2,3-dimethyl-5-morpholin-4-ylpent-3-en-2-ol
CID 101251374

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine?
The IUPAC name of N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine (CID 131865481) is N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine?
The canonical SMILES for N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine is C=C=C(CN1CCOCC1)C(C)(C)C=NO.
What is the InChIKey of N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine?
The InChIKey is GCAJKAOMLOOYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-11(12(2,3)10-13-15)9-14-5-7-16-8-6-14/h10,15H,1,5-9H2,2-3H3.
What are the key properties of N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine?
N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine has a molecular weight of 224.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine is sourced from PubChem (CID 131865481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).