CID 123570025

C7H14N2 — CID 123570025

IUPAC—
SMILESC[N+]12[CH-]CN(CC1)CC2
InChIInChI=1S/C7H14N2/c1-9-5-2-8(3-6-9)4-7-9/h5H,2-4,6-7H2,1H3
InChIKeyDLRHNQCZBKCWHS-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.08
Rot. Bonds

About CID 123570025

CID 123570025 (PubChem CID 123570025) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol.

Molecular Properties

Compound NameCID 123570025
PubChem CID123570025
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name—
SMILESC[N+]12[CH-]CN(CC1)CC2
InChIInChI=1S/C7H14N2/c1-9-5-2-8(3-6-9)4-7-9/h5H,2-4,6-7H2,1H3
InChIKeyDLRHNQCZBKCWHS-UHFFFAOYSA-N
XLogP-0.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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1-methyl-4-aza-1-azoniabicyclo[2.2.2]octane;hydroxide;hydrate
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1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane
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methane;1,1,4-trimethylpiperazin-1-ium
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1,1-dimethylaziridin-1-ium iodide
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1-(2-methylprop-2-enyl)-4-aza-1-azoniabicyclo[2.2.2]octane
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2-(4,4-dimethylpiperazin-4-ium-1-yl)acetic acid
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1-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)but-2-ynyl]-4-aza-1-azoniabicyclo[2.2.2]octane
CID 101191594
1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium
CID 144727162
1-(1,1,2,2,2-pentafluoroethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
CID 144955124
6-iodo-6-azaspiro[3.5]nonane
CID 129299267

Frequently Asked Questions

What is the IUPAC name of CID 123570025?
The IUPAC name of CID 123570025 (CID 123570025) is not available.
What is the SMILES notation for CID 123570025?
The canonical SMILES for CID 123570025 is C[N+]12[CH-]CN(CC1)CC2.
What is the InChIKey of CID 123570025?
The InChIKey is DLRHNQCZBKCWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-5-2-8(3-6-9)4-7-9/h5H,2-4,6-7H2,1H3.
What are the key properties of CID 123570025?
CID 123570025 has a molecular weight of 126.20 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123570025 is sourced from PubChem (CID 123570025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).