lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine

C11H21LrN2O- — CID 153330669

IUPAClawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
SMILES[CH2-]C1(C)CN(C)CC2COCCN2C1.[Lr]
InChIInChI=1S/C11H21N2O.Lr/c1-11(2)8-12(3)6-10-7-14-5-4-13(10)9-11;/h10H,1,4-9H2,2-3H3;/q-1;
InChIKeySBPLONWYXFLVIP-UHFFFAOYSA-N
MW459.30 g/mol
LogP0.47
Rot. Bonds

About lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine

lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine (PubChem CID 153330669) has the molecular formula C11H21LrN2O- and a molecular weight of 459.30 g/mol. Its IUPAC name is lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine.

Molecular Properties

Compound Namelawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
PubChem CID153330669
Molecular FormulaC11H21LrN2O-
Molecular Weight459.30 g/mol
Exact Mass459.28
IUPAC Namelawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
SMILES[CH2-]C1(C)CN(C)CC2COCCN2C1.[Lr]
InChIInChI=1S/C11H21N2O.Lr/c1-11(2)8-12(3)6-10-7-14-5-4-13(10)9-11;/h10H,1,4-9H2,2-3H3;/q-1;
InChIKeySBPLONWYXFLVIP-UHFFFAOYSA-N
XLogP0.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]
CID 162790525
1-[4-(8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)piperidin-1-yl]ethanone
CID 162809623
3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 140924784
(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 143829898
(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 59215818
(9aR)-8-[(3S)-3-fluorobutyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 129349201
7-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 168880333
4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol
CID 177033565
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719
ethane;4-methyl-1,4-oxazepan-6-amine
CID 178036626
(9aS)-8-(4-methylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 171622300

Frequently Asked Questions

What is the IUPAC name of lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
The IUPAC name of lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine (CID 153330669) is lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine.
What is the SMILES notation for lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
The canonical SMILES for lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine is [CH2-]C1(C)CN(C)CC2COCCN2C1.[Lr].
What is the InChIKey of lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
The InChIKey is SBPLONWYXFLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O.Lr/c1-11(2)8-12(3)6-10-7-14-5-4-13(10)9-11;/h10H,1,4-9H2,2-3H3;/q-1;.
What are the key properties of lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine has a molecular weight of 459.30 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine is sourced from PubChem (CID 153330669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).