CID 171563781

C7H15BN2O — CID 171563781

IUPAC—
SMILES[B]NC(=O)CCCCCNC
InChIInChI=1S/C7H15BN2O/c1-9-6-4-2-3-5-7(11)10-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyFUYOQEKGLMGRQU-UHFFFAOYSA-N
MW154.02 g/mol
LogP-0.03
Rot. Bonds6

About CID 171563781

CID 171563781 (PubChem CID 171563781) has the molecular formula C7H15BN2O and a molecular weight of 154.02 g/mol.

Molecular Properties

Compound NameCID 171563781
PubChem CID171563781
Molecular FormulaC7H15BN2O
Molecular Weight154.02 g/mol
Exact Mass154.13
IUPAC Name—
SMILES[B]NC(=O)CCCCCNC
InChIInChI=1S/C7H15BN2O/c1-9-6-4-2-3-5-7(11)10-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyFUYOQEKGLMGRQU-UHFFFAOYSA-N
XLogP-0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-11-(methylamino)undecanamide
CID 59809097
6-(methylamino)hexanoic acid
CID 4989372
5-(methylamino)pentanoic acid
CID 91583432
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
13-(methylamino)tridecan-2-one
CID 23382037
ethane;5-(methylamino)pentanoic acid
CID 178043439
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
ethane;7-(methylamino)heptan-2-one
CID 176694896
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122

Frequently Asked Questions

What is the IUPAC name of CID 171563781?
The IUPAC name of CID 171563781 (CID 171563781) is not available.
What is the SMILES notation for CID 171563781?
The canonical SMILES for CID 171563781 is [B]NC(=O)CCCCCNC.
What is the InChIKey of CID 171563781?
The InChIKey is FUYOQEKGLMGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BN2O/c1-9-6-4-2-3-5-7(11)10-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of CID 171563781?
CID 171563781 has a molecular weight of 154.02 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171563781 is sourced from PubChem (CID 171563781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).