CID 58865013

C8H17BN2 — CID 58865013

IUPAC—
SMILES[B]CN1CCN(C)CCC1C
InChIInChI=1S/C8H17BN2/c1-8-3-4-10(2)5-6-11(8)7-9/h8H,3-7H2,1-2H3
InChIKeyLNNGLZOXTIQRCD-UHFFFAOYSA-N
MW152.05 g/mol
LogP0.14
Rot. Bonds1

About CID 58865013

CID 58865013 (PubChem CID 58865013) has the molecular formula C8H17BN2 and a molecular weight of 152.05 g/mol.

Molecular Properties

Compound NameCID 58865013
PubChem CID58865013
Molecular FormulaC8H17BN2
Molecular Weight152.05 g/mol
Exact Mass152.15
IUPAC Name—
SMILES[B]CN1CCN(C)CCC1C
InChIInChI=1S/C8H17BN2/c1-8-3-4-10(2)5-6-11(8)7-9/h8H,3-7H2,1-2H3
InChIKeyLNNGLZOXTIQRCD-UHFFFAOYSA-N
XLogP0.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.05
LogP ≤ 50.14
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-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
CID 130736732
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
1,5-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120899791
(4R)-1,4,5-trimethylazepane
CID 89169089
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
4,5-dimethyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 54054152
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
3-(2-methylazetidin-1-yl)propan-1-ol
CID 104549007
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
CID 177212485

Frequently Asked Questions

What is the IUPAC name of CID 58865013?
The IUPAC name of CID 58865013 (CID 58865013) is not available.
What is the SMILES notation for CID 58865013?
The canonical SMILES for CID 58865013 is [B]CN1CCN(C)CCC1C.
What is the InChIKey of CID 58865013?
The InChIKey is LNNGLZOXTIQRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BN2/c1-8-3-4-10(2)5-6-11(8)7-9/h8H,3-7H2,1-2H3.
What are the key properties of CID 58865013?
CID 58865013 has a molecular weight of 152.05 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58865013 is sourced from PubChem (CID 58865013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).