CID 59347744

C5H11NO — CID 59347744

IUPAC—
SMILES[CH]CNCCOC
InChIInChI=1S/C5H11NO/c1-3-6-4-5-7-2/h1,6H,3-5H2,2H3
InChIKeyUPIBVWLBORGMND-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.07
Rot. Bonds4

About CID 59347744

CID 59347744 (PubChem CID 59347744) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol.

Molecular Properties

Compound NameCID 59347744
PubChem CID59347744
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name—
SMILES[CH]CNCCOC
InChIInChI=1S/C5H11NO/c1-3-6-4-5-7-2/h1,6H,3-5H2,2H3
InChIKeyUPIBVWLBORGMND-UHFFFAOYSA-N
XLogP-0.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 89324812
CID 89324812
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
CID 177329395
CID 177329395
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-(2-chloroethyl)-2-methoxyethanamine
CID 64980906
2-(2-methoxyethylamino)acetaldehyde
CID 54243184
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-(2-methoxyethylamino)ethyl-methylazanide
CID 88554116
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858

Frequently Asked Questions

What is the IUPAC name of CID 59347744?
The IUPAC name of CID 59347744 (CID 59347744) is not available.
What is the SMILES notation for CID 59347744?
The canonical SMILES for CID 59347744 is [CH]CNCCOC.
What is the InChIKey of CID 59347744?
The InChIKey is UPIBVWLBORGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-6-4-5-7-2/h1,6H,3-5H2,2H3.
What are the key properties of CID 59347744?
CID 59347744 has a molecular weight of 101.15 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59347744 is sourced from PubChem (CID 59347744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).