CID 174727700

C11H25BNO — CID 174727700

IUPAC—
SMILESCCCCCCNOCCCCC.[B]
InChIInChI=1S/C11H25NO.B/c1-3-5-7-8-10-12-13-11-9-6-4-2;/h12H,3-11H2,1-2H3;
InChIKeyRQJDBBLJKFYPPA-UHFFFAOYSA-N
MW198.14 g/mol
LogP2.90
Rot. Bonds10

About CID 174727700

CID 174727700 (PubChem CID 174727700) has the molecular formula C11H25BNO and a molecular weight of 198.14 g/mol.

Molecular Properties

Compound NameCID 174727700
PubChem CID174727700
Molecular FormulaC11H25BNO
Molecular Weight198.14 g/mol
Exact Mass198.20
IUPAC Name—
SMILESCCCCCCNOCCCCC.[B]
InChIInChI=1S/C11H25NO.B/c1-3-5-7-8-10-12-13-11-9-6-4-2;/h12H,3-11H2,1-2H3;
InChIKeyRQJDBBLJKFYPPA-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butoxydecan-1-amine
CID 154317996
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
N-octadecoxypropan-1-amine
CID 18519352
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
cyclopropane;N-dodecoxypropan-1-amine
CID 130367915
N-heptoxyethanamine
CID 88792401
2-(hexylamino)oxyethyl-trimethylazanium
CID 141013083
N-(2-hexoxyethoxy)propan-1-amine
CID 88792520
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992
CID 159860963
CID 159860963
N-methoxydodecan-1-amine
CID 14131600

Frequently Asked Questions

What is the IUPAC name of CID 174727700?
The IUPAC name of CID 174727700 (CID 174727700) is not available.
What is the SMILES notation for CID 174727700?
The canonical SMILES for CID 174727700 is CCCCCCNOCCCCC.[B].
What is the InChIKey of CID 174727700?
The InChIKey is RQJDBBLJKFYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.B/c1-3-5-7-8-10-12-13-11-9-6-4-2;/h12H,3-11H2,1-2H3;.
What are the key properties of CID 174727700?
CID 174727700 has a molecular weight of 198.14 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174727700 is sourced from PubChem (CID 174727700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).