CID 175625806

C12H21BNP — CID 175625806

IUPAC—
SMILES[B]C1(P)CC12CN1CCCC1(C(C)C)C2
InChIInChI=1S/C12H21BNP/c1-9(2)11-4-3-5-14(11)8-10(6-11)7-12(10,13)15/h9H,3-8,15H2,1-2H3
InChIKeyRQPKCCCHPDFOCC-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.01
Rot. Bonds1

About CID 175625806

CID 175625806 (PubChem CID 175625806) has the molecular formula C12H21BNP and a molecular weight of 221.09 g/mol.

Molecular Properties

Compound NameCID 175625806
PubChem CID175625806
Molecular FormulaC12H21BNP
Molecular Weight221.09 g/mol
Exact Mass221.15
IUPAC Name—
SMILES[B]C1(P)CC12CN1CCCC1(C(C)C)C2
InChIInChI=1S/C12H21BNP/c1-9(2)11-4-3-5-14(11)8-10(6-11)7-12(10,13)15/h9H,3-8,15H2,1-2H3
InChIKeyRQPKCCCHPDFOCC-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(1-propan-2-ylcyclopentyl)piperazine
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1-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethoxyphosphane;tungsten
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(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
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(6S,8S)-1',1'-difluoro-8-(1-iodoethoxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
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ethane;(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
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2,6-dimethyl-2-propan-2-yl-6-azaspiro[3.5]nonane
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Frequently Asked Questions

What is the IUPAC name of CID 175625806?
The IUPAC name of CID 175625806 (CID 175625806) is not available.
What is the SMILES notation for CID 175625806?
The canonical SMILES for CID 175625806 is [B]C1(P)CC12CN1CCCC1(C(C)C)C2.
What is the InChIKey of CID 175625806?
The InChIKey is RQPKCCCHPDFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BNP/c1-9(2)11-4-3-5-14(11)8-10(6-11)7-12(10,13)15/h9H,3-8,15H2,1-2H3.
What are the key properties of CID 175625806?
CID 175625806 has a molecular weight of 221.09 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175625806 is sourced from PubChem (CID 175625806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).