CID 174005831

C10H20BN2O2 — CID 174005831

IUPAC—
SMILES[H]/N=C(/[B]OC(C)(C)C(C)(C)O)C=C(C)N
InChIInChI=1S/C10H20BN2O2/c1-7(12)6-8(13)11-15-10(4,5)9(2,3)14/h6,13-14H,12H2,1-5H3/b7-6?,13-8+
InChIKeyKKLLXJDSBHBKFJ-KAORETLCSA-N
MW211.09 g/mol
LogP1.01
Rot. Bonds5

About CID 174005831

CID 174005831 (PubChem CID 174005831) has the molecular formula C10H20BN2O2 and a molecular weight of 211.09 g/mol.

Molecular Properties

Compound NameCID 174005831
PubChem CID174005831
Molecular FormulaC10H20BN2O2
Molecular Weight211.09 g/mol
Exact Mass211.16
IUPAC Name—
SMILES[H]/N=C(/[B]OC(C)(C)C(C)(C)O)C=C(C)N
InChIInChI=1S/C10H20BN2O2/c1-7(12)6-8(13)11-15-10(4,5)9(2,3)14/h6,13-14H,12H2,1-5H3/b7-6?,13-8+
InChIKeyKKLLXJDSBHBKFJ-KAORETLCSA-N
XLogP1.01
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 176522512
CID 176522512
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
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CID 87900155
(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
3-aminobut-2-enimidoyl fluoride
CID 149013787
CID 123339044
CID 123339044
CID 142406997
CID 142406997
CID 87803025
CID 87803025
CID 171527286
CID 171527286
2-iminopent-3-ene-1,4-diamine
CID 147865481
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
CID 155724244
CID 155724244

Frequently Asked Questions

What is the IUPAC name of CID 174005831?
The IUPAC name of CID 174005831 (CID 174005831) is not available.
What is the SMILES notation for CID 174005831?
The canonical SMILES for CID 174005831 is [H]/N=C(/[B]OC(C)(C)C(C)(C)O)C=C(C)N.
What is the InChIKey of CID 174005831?
The InChIKey is KKLLXJDSBHBKFJ-KAORETLCSA-N. The full InChI is InChI=1S/C10H20BN2O2/c1-7(12)6-8(13)11-15-10(4,5)9(2,3)14/h6,13-14H,12H2,1-5H3/b7-6?,13-8+.
What are the key properties of CID 174005831?
CID 174005831 has a molecular weight of 211.09 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174005831 is sourced from PubChem (CID 174005831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).