1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea

C12H24N2Se — CID 24776961

IUPAC1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea
SMILESCC(C)N(C(=[Se])N(C)C)C1CCCCC1
InChIInChI=1S/C12H24N2Se/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyWEFWDSQOLMAXHJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.85
Rot. Bonds4

About 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea

1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea (PubChem CID 24776961) has the molecular formula C12H24N2Se and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea
PubChem CID24776961
Molecular FormulaC12H24N2Se
Molecular Weight275.30 g/mol
Exact Mass276.11
IUPAC Name1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea
SMILESCC(C)N(C(=[Se])N(C)C)C1CCCCC1
InChIInChI=1S/C12H24N2Se/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyWEFWDSQOLMAXHJ-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.85
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

N,N,N',N'-tetraethyldiaminocyclohexane
CID 90929652
1,3-Dicyclohexyl-1,3-dimethylselenourea
CID 12787622
1,3-Dicyclohexyl-1,3-diethylselenourea
CID 134917218
1,3-Dibutyl-1,3-dicyclohexylselenourea
CID 134917415
N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine
CID 142330257
N,N'-dicyclohexyl-N,N'-dimethylmethanediamine
CID 15307711
N,N'-dicyclohexyl-N,N'-diethylmethanediamine
CID 15930828
1-Cyclohexyl-3-methyl-1,3-diazinane
CID 54499481
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)methanediamine
CID 59360796
Cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 67368734
Cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 68604997
2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine
CID 134402323

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea?
The IUPAC name of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea (CID 24776961) is 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea?
The canonical SMILES for 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea is CC(C)N(C(=[Se])N(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea?
The InChIKey is WEFWDSQOLMAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2Se/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea?
1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea has a molecular weight of 275.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea is sourced from PubChem (CID 24776961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).