CID 163235298

C7H15BN2 — CID 163235298

IUPAC—
SMILES[B]CN1CCN(CC)CC1
InChIInChI=1S/C7H15BN2/c1-2-9-3-5-10(7-8)6-4-9/h2-7H2,1H3
InChIKeyAYZDTLGBOYWSLL-UHFFFAOYSA-N
MW138.02 g/mol
LogP-0.25
Rot. Bonds2

About CID 163235298

CID 163235298 (PubChem CID 163235298) has the molecular formula C7H15BN2 and a molecular weight of 138.02 g/mol.

Molecular Properties

Compound NameCID 163235298
PubChem CID163235298
Molecular FormulaC7H15BN2
Molecular Weight138.02 g/mol
Exact Mass138.13
IUPAC Name—
SMILES[B]CN1CCN(CC)CC1
InChIInChI=1S/C7H15BN2/c1-2-9-3-5-10(7-8)6-4-9/h2-7H2,1H3
InChIKeyAYZDTLGBOYWSLL-UHFFFAOYSA-N
XLogP-0.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.02
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1,4-diethylpiperazine;sulfane
CID 177062456
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1,6-diethyl-1,6-diazecane
CID 172611513
4-ethylpiperazin-1-amine
CID 3015725
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
1-ethylpiperidine
CID 13007
1-ethylpyrrolidine;hydrofluoride
CID 163271504
CID 88997188
CID 88997188
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
(4-ethylpiperazin-1-yl)methanol;methane
CID 161108744

Frequently Asked Questions

What is the IUPAC name of CID 163235298?
The IUPAC name of CID 163235298 (CID 163235298) is not available.
What is the SMILES notation for CID 163235298?
The canonical SMILES for CID 163235298 is [B]CN1CCN(CC)CC1.
What is the InChIKey of CID 163235298?
The InChIKey is AYZDTLGBOYWSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BN2/c1-2-9-3-5-10(7-8)6-4-9/h2-7H2,1H3.
What are the key properties of CID 163235298?
CID 163235298 has a molecular weight of 138.02 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163235298 is sourced from PubChem (CID 163235298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).