CID 166489286

C10H21BN2 — CID 166489286

IUPAC—
SMILES[B]N1C(C)CN(C(C)C)C(C)C1C
InChIInChI=1S/C10H21BN2/c1-7(2)12-6-8(3)13(11)10(5)9(12)4/h7-10H,6H2,1-5H3
InChIKeyPLCFDNQFIWHOCH-UHFFFAOYSA-N
MW180.10 g/mol
LogP1.26
Rot. Bonds1

About CID 166489286

CID 166489286 (PubChem CID 166489286) has the molecular formula C10H21BN2 and a molecular weight of 180.10 g/mol.

Molecular Properties

Compound NameCID 166489286
PubChem CID166489286
Molecular FormulaC10H21BN2
Molecular Weight180.10 g/mol
Exact Mass180.18
IUPAC Name—
SMILES[B]N1C(C)CN(C(C)C)C(C)C1C
InChIInChI=1S/C10H21BN2/c1-7(2)12-6-8(3)13(11)10(5)9(12)4/h7-10H,6H2,1-5H3
InChIKeyPLCFDNQFIWHOCH-UHFFFAOYSA-N
XLogP1.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 51.26
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

(2S,5R)-2,5-dimethyl-4-propan-2-ylpiperazin-1-amine
CID 155040409
(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine)
CID 161123117
(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine
CID 161123115
(2R,3R)-1,2,3-trimethyl-4-propan-2-ylpiperazine
CID 139548079
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol
CID 171587567
(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine
CID 118670818
4-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211470
2-fluoro-1-propan-2-ylaziridine
CID 166046401
6-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 83846103
5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 83848024
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233

Frequently Asked Questions

What is the IUPAC name of CID 166489286?
The IUPAC name of CID 166489286 (CID 166489286) is not available.
What is the SMILES notation for CID 166489286?
The canonical SMILES for CID 166489286 is [B]N1C(C)CN(C(C)C)C(C)C1C.
What is the InChIKey of CID 166489286?
The InChIKey is PLCFDNQFIWHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BN2/c1-7(2)12-6-8(3)13(11)10(5)9(12)4/h7-10H,6H2,1-5H3.
What are the key properties of CID 166489286?
CID 166489286 has a molecular weight of 180.10 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166489286 is sourced from PubChem (CID 166489286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).