CID 139125048

C11H21N2Se — CID 139125048

IUPAC—
SMILESCC(C)N(C)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C11H21N2Se/c1-9(2)13(3)11(14)12-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3/b12-11-
InChIKeyBPLPFVYQSMZEPW-QXMHVHEDSA-N
MW260.26 g/mol
LogP2.18
Rot. Bonds2

About CID 139125048

CID 139125048 (PubChem CID 139125048) has the molecular formula C11H21N2Se and a molecular weight of 260.26 g/mol.

Molecular Properties

Compound NameCID 139125048
PubChem CID139125048
Molecular FormulaC11H21N2Se
Molecular Weight260.26 g/mol
Exact Mass261.09
IUPAC Name—
SMILESCC(C)N(C)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C11H21N2Se/c1-9(2)13(3)11(14)12-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3/b12-11-
InChIKeyBPLPFVYQSMZEPW-QXMHVHEDSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

CID 139125043
CID 139125043
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
N-cyclohexylethanimidoyl fluoride
CID 24977694
2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 89442983
2-cyclohexylimino-N,N-dimethylbutan-1-amine
CID 123240449
(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide
CID 155705889
2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054

Frequently Asked Questions

What is the IUPAC name of CID 139125048?
The IUPAC name of CID 139125048 (CID 139125048) is not available.
What is the SMILES notation for CID 139125048?
The canonical SMILES for CID 139125048 is CC(C)N(C)/C([Se])=N/C1CCCCC1.
What is the InChIKey of CID 139125048?
The InChIKey is BPLPFVYQSMZEPW-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H21N2Se/c1-9(2)13(3)11(14)12-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3/b12-11-.
What are the key properties of CID 139125048?
CID 139125048 has a molecular weight of 260.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125048 is sourced from PubChem (CID 139125048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).