cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol

C10H21CeNO — CID 153491929

IUPACcerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N/C.[Ce]
InChIInChI=1S/C10H21NO.Ce/c1-5-7-10(12,8-6-2)9(3)11-4;/h12H,5-8H2,1-4H3;/b11-9+;
InChIKeyYPQYMGYKUDLQRQ-LBEJWNQZSA-N
MW311.40 g/mol
LogP2.41
Rot. Bonds5

About cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol

cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol (PubChem CID 153491929) has the molecular formula C10H21CeNO and a molecular weight of 311.40 g/mol. Its IUPAC name is cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol.

Molecular Properties

Compound Namecerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
PubChem CID153491929
Molecular FormulaC10H21CeNO
Molecular Weight311.40 g/mol
Exact Mass311.07
IUPAC Namecerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N/C.[Ce]
InChIInChI=1S/C10H21NO.Ce/c1-5-7-10(12,8-6-2)9(3)11-4;/h12H,5-8H2,1-4H3;/b11-9+;
InChIKeyYPQYMGYKUDLQRQ-LBEJWNQZSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793
3-ethyl-2-methyliminopentan-3-ol;thulium
CID 153491886
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
CID 3074066
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
CID 6510140
3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
CID 153491926
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
CID 160728576
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876

Frequently Asked Questions

What is the IUPAC name of cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol?
The IUPAC name of cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol (CID 153491929) is cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol.
What is the SMILES notation for cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol?
The canonical SMILES for cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol is CCCC(O)(CCC)/C(C)=N/C.[Ce].
What is the InChIKey of cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol?
The InChIKey is YPQYMGYKUDLQRQ-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21NO.Ce/c1-5-7-10(12,8-6-2)9(3)11-4;/h12H,5-8H2,1-4H3;/b11-9+;.
What are the key properties of cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol?
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol has a molecular weight of 311.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol is sourced from PubChem (CID 153491929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).