CID 101037771

C10H21NO2+ — CID 101037771

IUPAC—
SMILESCCCCN(CCCC)OC(C)=[O+]
InChIInChI=1S/C10H21NO2/c1-4-6-8-11(9-7-5-2)13-10(3)12/h4-9H2,1-3H3/q+1
InChIKeyYGBDGEWHKNXELH-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.37
Rot. Bonds7

About CID 101037771

CID 101037771 (PubChem CID 101037771) has the molecular formula C10H21NO2+ and a molecular weight of 187.28 g/mol.

Molecular Properties

Compound NameCID 101037771
PubChem CID101037771
Molecular FormulaC10H21NO2+
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name—
SMILESCCCCN(CCCC)OC(C)=[O+]
InChIInChI=1S/C10H21NO2/c1-4-6-8-11(9-7-5-2)13-10(3)12/h4-9H2,1-3H3/q+1
InChIKeyYGBDGEWHKNXELH-UHFFFAOYSA-N
XLogP2.37
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-prop-1-en-2-yloxybutan-1-amine
CID 167223941
(dibutylamino) propanoate
CID 154448533
(dibutylamino) 2-methylbut-2-enoate
CID 174778974
N-butyl-N-ethoxypentan-1-amine
CID 174575432
N-butyl-N-ethoxydodecan-1-amine
CID 150955384
CID 100972273
CID 100972273
(dibutylamino) dihydrogen phosphate
CID 22117086
2-(didecylamino)oxy-2-oxoacetic acid
CID 175454958
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N-dodecyl-N-ethoxydodecan-1-amine
CID 152741413

Frequently Asked Questions

What is the IUPAC name of CID 101037771?
The IUPAC name of CID 101037771 (CID 101037771) is not available.
What is the SMILES notation for CID 101037771?
The canonical SMILES for CID 101037771 is CCCCN(CCCC)OC(C)=[O+].
What is the InChIKey of CID 101037771?
The InChIKey is YGBDGEWHKNXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-8-11(9-7-5-2)13-10(3)12/h4-9H2,1-3H3/q+1.
What are the key properties of CID 101037771?
CID 101037771 has a molecular weight of 187.28 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101037771 is sourced from PubChem (CID 101037771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).