1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane

C20H40N2 — CID 143868039

IUPAC1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane
SMILESC=C(NC1CCCCC1)N(C)CCCC.CC1CCCCC1
InChIInChI=1S/C13H26N2.C7H14/c1-4-5-11-15(3)12(2)14-13-9-7-6-8-10-13;1-7-5-3-2-4-6-7/h13-14H,2,4-11H2,1,3H3;7H,2-6H2,1H3
InChIKeyZSBROVHVWNXHMV-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.70
Rot. Bonds6

About 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane

1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane (PubChem CID 143868039) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane.

Molecular Properties

Compound Name1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane
PubChem CID143868039
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane
SMILESC=C(NC1CCCCC1)N(C)CCCC.CC1CCCCC1
InChIInChI=1S/C13H26N2.C7H14/c1-4-5-11-15(3)12(2)14-13-9-7-6-8-10-13;1-7-5-3-2-4-6-7/h13-14H,2,4-11H2,1,3H3;7H,2-6H2,1H3
InChIKeyZSBROVHVWNXHMV-UHFFFAOYSA-N
XLogP5.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane?
The IUPAC name of 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane (CID 143868039) is 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane.
What is the SMILES notation for 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane?
The canonical SMILES for 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane is C=C(NC1CCCCC1)N(C)CCCC.CC1CCCCC1.
What is the InChIKey of 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane?
The InChIKey is ZSBROVHVWNXHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C7H14/c1-4-5-11-15(3)12(2)14-13-9-7-6-8-10-13;1-7-5-3-2-4-6-7/h13-14H,2,4-11H2,1,3H3;7H,2-6H2,1H3.
What are the key properties of 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane?
1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane has a molecular weight of 308.55 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N-cyclohexyl-1-N'-methylethene-1,1-diamine;methylcyclohexane is sourced from PubChem (CID 143868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).