CID 139125051

C9H17N2Se — CID 139125051

IUPAC—
SMILESCCCC/N=C(\[Se])N1CCCC1
InChIInChI=1S/C9H17N2Se/c1-2-3-6-10-9(12)11-7-4-5-8-11/h2-8H2,1H3/b10-9-
InChIKeyVIWRICFWQIAPEG-KTKRTIGZSA-N
MW232.21 g/mol
LogP1.41
Rot. Bonds3

About CID 139125051

CID 139125051 (PubChem CID 139125051) has the molecular formula C9H17N2Se and a molecular weight of 232.21 g/mol.

Molecular Properties

Compound NameCID 139125051
PubChem CID139125051
Molecular FormulaC9H17N2Se
Molecular Weight232.21 g/mol
Exact Mass233.06
IUPAC Name—
SMILESCCCC/N=C(\[Se])N1CCCC1
InChIInChI=1S/C9H17N2Se/c1-2-3-6-10-9(12)11-7-4-5-8-11/h2-8H2,1H3/b10-9-
InChIKeyVIWRICFWQIAPEG-KTKRTIGZSA-N
XLogP1.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[fluoro(pyrrolidin-1-ium-1-ylidene)methyl]ethanamine
CID 11709493
CID 135059790
CID 135059790
N-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]-N-ethylethanamine
CID 11566196
(NE)-N-(dimethylaminomethylidene)pyrrolidine-1-carboselenoamide
CID 12007410
CID 139125042
CID 139125042
Methanimine, 1-(1-pyrrolidinyl), N-butyl
CID 523928
Methanimine, 1-(1-pyrrolidinyl), N-isobutyl
CID 523931
Methanimine, 1-(1-pyrrolidinyl), N-pentyl
CID 523932
Methanimine, 1-(1-pyrrolidinyl), N-propyl
CID 523935
[Dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium
CID 20688139
N-ethyl-1-pyrrolidin-1-ylmethanimine
CID 21646847
ethane;N-methyl-1-pyrrolidin-1-ylethanimine
CID 54228523

Frequently Asked Questions

What is the IUPAC name of CID 139125051?
The IUPAC name of CID 139125051 (CID 139125051) is not available.
What is the SMILES notation for CID 139125051?
The canonical SMILES for CID 139125051 is CCCC/N=C(\[Se])N1CCCC1.
What is the InChIKey of CID 139125051?
The InChIKey is VIWRICFWQIAPEG-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N2Se/c1-2-3-6-10-9(12)11-7-4-5-8-11/h2-8H2,1H3/b10-9-.
What are the key properties of CID 139125051?
CID 139125051 has a molecular weight of 232.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125051 is sourced from PubChem (CID 139125051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).