CID 139125043

C13H25N2Se — CID 139125043

IUPAC—
SMILESCC(C)N(/C([Se])=N/C1CCCCC1)C(C)C
InChIInChI=1S/C13H25N2Se/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3/b14-13-
InChIKeyCTQAGMVGZRDULU-YPKPFQOOSA-N
MW288.32 g/mol
LogP2.96
Rot. Bonds3

About CID 139125043

CID 139125043 (PubChem CID 139125043) has the molecular formula C13H25N2Se and a molecular weight of 288.32 g/mol.

Molecular Properties

Compound NameCID 139125043
PubChem CID139125043
Molecular FormulaC13H25N2Se
Molecular Weight288.32 g/mol
Exact Mass289.12
IUPAC Name—
SMILESCC(C)N(/C([Se])=N/C1CCCCC1)C(C)C
InChIInChI=1S/C13H25N2Se/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3/b14-13-
InChIKeyCTQAGMVGZRDULU-YPKPFQOOSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.96
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 139125048
CID 139125048
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
N-cyclohexylethanimidoyl fluoride
CID 24977694
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054
N-cyclohexyl-2-methyl-1-phosphanylprop-2-en-1-imine
CID 166712384
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine
CID 71383098
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389

Frequently Asked Questions

What is the IUPAC name of CID 139125043?
The IUPAC name of CID 139125043 (CID 139125043) is not available.
What is the SMILES notation for CID 139125043?
The canonical SMILES for CID 139125043 is CC(C)N(/C([Se])=N/C1CCCCC1)C(C)C.
What is the InChIKey of CID 139125043?
The InChIKey is CTQAGMVGZRDULU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H25N2Se/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3/b14-13-.
What are the key properties of CID 139125043?
CID 139125043 has a molecular weight of 288.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125043 is sourced from PubChem (CID 139125043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).