ethane;5-methyliminopentan-1-olate

C8H18NO- — CID 90862657

IUPACethane;5-methyliminopentan-1-olate
SMILESC/N=C/CCCC[O-].CC
InChIInChI=1S/C6H12NO.C2H6/c1-7-5-3-2-4-6-8;1-2/h5H,2-4,6H2,1H3;1-2H3/q-1;/b7-5+;
InChIKeyOBUIKUUNWCPYAA-GZOLSCHFSA-N
MW144.24 g/mol
LogP1.24
Rot. Bonds4

About ethane;5-methyliminopentan-1-olate

ethane;5-methyliminopentan-1-olate (PubChem CID 90862657) has the molecular formula C8H18NO- and a molecular weight of 144.24 g/mol. Its IUPAC name is ethane;5-methyliminopentan-1-olate.

Molecular Properties

Compound Nameethane;5-methyliminopentan-1-olate
PubChem CID90862657
Molecular FormulaC8H18NO-
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nameethane;5-methyliminopentan-1-olate
SMILESC/N=C/CCCC[O-].CC
InChIInChI=1S/C6H12NO.C2H6/c1-7-5-3-2-4-6-8;1-2/h5H,2-4,6H2,1H3;1-2H3/q-1;/b7-5+;
InChIKeyOBUIKUUNWCPYAA-GZOLSCHFSA-N
XLogP1.24
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-pentoxypentan-1-imine
CID 18714719
N-pentoxybutan-1-imine
CID 53754368
ethyl N-methylpentanimidate
CID 53840622
5-Methyliminopentan-1-olate
CID 57616963
N-pentoxyhexan-1-imine
CID 59883278
N-methylethanimine;oxane
CID 68775785
N-pentoxypentan-1-imine
CID 73458857
N-ethyl-3-hexoxypropan-1-imine
CID 87877005
(E)-N-butoxypentan-1-imine
CID 89045191
N-(5-methoxypentyl)ethanimine
CID 89373982
N-(6-methoxyhexyl)butan-1-imine
CID 123891261
N-methyl-5-(methylideneamino)oxypentan-1-imine
CID 157282725

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyliminopentan-1-olate?
The IUPAC name of ethane;5-methyliminopentan-1-olate (CID 90862657) is ethane;5-methyliminopentan-1-olate.
What is the SMILES notation for ethane;5-methyliminopentan-1-olate?
The canonical SMILES for ethane;5-methyliminopentan-1-olate is C/N=C/CCCC[O-].CC.
What is the InChIKey of ethane;5-methyliminopentan-1-olate?
The InChIKey is OBUIKUUNWCPYAA-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H12NO.C2H6/c1-7-5-3-2-4-6-8;1-2/h5H,2-4,6H2,1H3;1-2H3/q-1;/b7-5+;.
What are the key properties of ethane;5-methyliminopentan-1-olate?
ethane;5-methyliminopentan-1-olate has a molecular weight of 144.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyliminopentan-1-olate is sourced from PubChem (CID 90862657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).