CID 174030849

C14H21BN — CID 174030849

IUPAC—
SMILESC[B]c1cccc2c1CCCCN2C(C)C
InChIInChI=1S/C14H21BN/c1-11(2)16-10-5-4-7-12-13(15-3)8-6-9-14(12)16/h6,8-9,11H,4-5,7,10H2,1-3H3
InChIKeyJGGUVPPIYGSOSZ-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.62
Rot. Bonds2

About CID 174030849

CID 174030849 (PubChem CID 174030849) has the molecular formula C14H21BN and a molecular weight of 214.14 g/mol.

Molecular Properties

Compound NameCID 174030849
PubChem CID174030849
Molecular FormulaC14H21BN
Molecular Weight214.14 g/mol
Exact Mass214.18
IUPAC Name—
SMILESC[B]c1cccc2c1CCCCN2C(C)C
InChIInChI=1S/C14H21BN/c1-11(2)16-10-5-4-7-12-13(15-3)8-6-9-14(12)16/h6,8-9,11H,4-5,7,10H2,1-3H3
InChIKeyJGGUVPPIYGSOSZ-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1-propan-2-yl-2,3-dihydroindol-4-yl)methanol
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1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
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1-propan-2-ylazonan-2-one
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1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
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1-propan-2-yl-4-pyridin-2-yl-2,3-dihydroindole
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4-(piperidin-4-ylidenemethyl)-1-propan-2-yl-2,3-dihydroindole
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1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65056934
1-butan-2-yl-4-chloro-2,3-dihydroindole
CID 70850462
1-propan-2-yl-6-tritio-2,3-dihydroindole
CID 166586860
2,6,11,15-tetra(propan-2-yl)-2,6,11,15-tetrazatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene
CID 102478540

Frequently Asked Questions

What is the IUPAC name of CID 174030849?
The IUPAC name of CID 174030849 (CID 174030849) is not available.
What is the SMILES notation for CID 174030849?
The canonical SMILES for CID 174030849 is C[B]c1cccc2c1CCCCN2C(C)C.
What is the InChIKey of CID 174030849?
The InChIKey is JGGUVPPIYGSOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BN/c1-11(2)16-10-5-4-7-12-13(15-3)8-6-9-14(12)16/h6,8-9,11H,4-5,7,10H2,1-3H3.
What are the key properties of CID 174030849?
CID 174030849 has a molecular weight of 214.14 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174030849 is sourced from PubChem (CID 174030849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).