CID 173487034

C10H19BN2 — CID 173487034

IUPAC—
SMILES[B]N1CCC2(CCCCN2C)CC1
InChIInChI=1S/C10H19BN2/c1-12-7-3-2-4-10(12)5-8-13(11)9-6-10/h2-9H2,1H3
InChIKeyBXBJSZJFQMJOEE-UHFFFAOYSA-N
MW178.09 g/mol
LogP1.02
Rot. Bonds

About CID 173487034

CID 173487034 (PubChem CID 173487034) has the molecular formula C10H19BN2 and a molecular weight of 178.09 g/mol.

Molecular Properties

Compound NameCID 173487034
PubChem CID173487034
Molecular FormulaC10H19BN2
Molecular Weight178.09 g/mol
Exact Mass178.16
IUPAC Name—
SMILES[B]N1CCC2(CCCCN2C)CC1
InChIInChI=1S/C10H19BN2/c1-12-7-3-2-4-10(12)5-8-13(11)9-6-10/h2-9H2,1H3
InChIKeyBXBJSZJFQMJOEE-UHFFFAOYSA-N
XLogP1.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.09
LogP ≤ 51.02
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-methyl-1-azaspiro[3.3]heptane
CID 118001601
5-methyl-2,5-diazaspiro[3.41]pentatetracontane
CID 134587859
1-methyl-1-azaspiro[4.5]decan-8-amine
CID 72699012
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
2,5-dimethyl-2,5-diazaspiro[3.4]octane
CID 59187037
ethane;1-methyl-1,8-diazaspiro[3.5]nonane
CID 156845056
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
1,8-dimethyl-1,8-diazaspiro[3.5]nonane;ethane
CID 156736334

Frequently Asked Questions

What is the IUPAC name of CID 173487034?
The IUPAC name of CID 173487034 (CID 173487034) is not available.
What is the SMILES notation for CID 173487034?
The canonical SMILES for CID 173487034 is [B]N1CCC2(CCCCN2C)CC1.
What is the InChIKey of CID 173487034?
The InChIKey is BXBJSZJFQMJOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2/c1-12-7-3-2-4-10(12)5-8-13(11)9-6-10/h2-9H2,1H3.
What are the key properties of CID 173487034?
CID 173487034 has a molecular weight of 178.09 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173487034 is sourced from PubChem (CID 173487034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).