CID 161146216

C10H19BN3 — CID 161146216

IUPAC—
SMILESCCN(CC)c1ccccc1.NN.[B]
InChIInChI=1S/C10H15N.B.H4N2/c1-3-11(4-2)10-8-6-5-7-9-10;;1-2/h5-9H,3-4H2,1-2H3;;1-2H2
InChIKeyBLHRBEKYOCMBBN-UHFFFAOYSA-N
MW192.10 g/mol
LogP0.97
Rot. Bonds3

About CID 161146216

CID 161146216 (PubChem CID 161146216) has the molecular formula C10H19BN3 and a molecular weight of 192.10 g/mol.

Molecular Properties

Compound NameCID 161146216
PubChem CID161146216
Molecular FormulaC10H19BN3
Molecular Weight192.10 g/mol
Exact Mass192.17
IUPAC Name—
SMILESCCN(CC)c1ccccc1.NN.[B]
InChIInChI=1S/C10H15N.B.H4N2/c1-3-11(4-2)10-8-6-5-7-9-10;;1-2/h5-9H,3-4H2,1-2H3;;1-2H2
InChIKeyBLHRBEKYOCMBBN-UHFFFAOYSA-N
XLogP0.97
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
dichloromethane;N,N-diethylaniline
CID 157472052
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
N,N-diethylaniline;triethoxysilane
CID 173388363
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
N,N-diethyl-4-triphenylplumbylaniline
CID 4999017

Frequently Asked Questions

What is the IUPAC name of CID 161146216?
The IUPAC name of CID 161146216 (CID 161146216) is not available.
What is the SMILES notation for CID 161146216?
The canonical SMILES for CID 161146216 is CCN(CC)c1ccccc1.NN.[B].
What is the InChIKey of CID 161146216?
The InChIKey is BLHRBEKYOCMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.B.H4N2/c1-3-11(4-2)10-8-6-5-7-9-10;;1-2/h5-9H,3-4H2,1-2H3;;1-2H2.
What are the key properties of CID 161146216?
CID 161146216 has a molecular weight of 192.10 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161146216 is sourced from PubChem (CID 161146216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).