CID 174062033

C12H19B — CID 174062033

IUPAC—
SMILES[B]C(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H19B/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6H2,1H3
InChIKeyUSGWTPCHWPTJBO-UHFFFAOYSA-N
MW174.10 g/mol
LogP3.04
Rot. Bonds1

About CID 174062033

CID 174062033 (PubChem CID 174062033) has the molecular formula C12H19B and a molecular weight of 174.10 g/mol.

Molecular Properties

Compound NameCID 174062033
PubChem CID174062033
Molecular FormulaC12H19B
Molecular Weight174.10 g/mol
Exact Mass174.16
IUPAC Name—
SMILES[B]C(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H19B/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6H2,1H3
InChIKeyUSGWTPCHWPTJBO-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-iodoethyl)adamantane
CID 23001063
CID 174152167
CID 174152167
2-(2-deuteriopropan-2-yl)adamantane
CID 153320243
(1S)-1-(2-adamantyl)ethanamine
CID 151459315
1-(2-adamantyl)-N-methylethanamine
CID 10058442
ethane;1-propan-2-yladamantane;bis(2-propan-2-yladamantane)
CID 160629751
adamantane;ethane;methane;2-methylpropane
CID 158164566
1-(2-adamantyl)-5-methylhexan-1-amine
CID 105028742
1-(2-adamantyl)hexan-1-ol
CID 115784330
(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 58358740
1-(2-adamantyl)-N-ethyl-3-methylbutan-1-amine
CID 115782496
adamantane;ethane
CID 90892828

Frequently Asked Questions

What is the IUPAC name of CID 174062033?
The IUPAC name of CID 174062033 (CID 174062033) is not available.
What is the SMILES notation for CID 174062033?
The canonical SMILES for CID 174062033 is [B]C(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 174062033?
The InChIKey is USGWTPCHWPTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19B/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6H2,1H3.
What are the key properties of CID 174062033?
CID 174062033 has a molecular weight of 174.10 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174062033 is sourced from PubChem (CID 174062033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).