1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane

C19H38N2 — CID 143974622

IUPAC1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane
SMILESC=C(NC1CCCCC1)N(C)CCC.CC1CCCCC1
InChIInChI=1S/C12H24N2.C7H14/c1-4-10-14(3)11(2)13-12-8-6-5-7-9-12;1-7-5-3-2-4-6-7/h12-13H,2,4-10H2,1,3H3;7H,2-6H2,1H3
InChIKeyASDRTOFTAQWXAO-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.31
Rot. Bonds5

About 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane

1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane (PubChem CID 143974622) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane
PubChem CID143974622
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane
SMILESC=C(NC1CCCCC1)N(C)CCC.CC1CCCCC1
InChIInChI=1S/C12H24N2.C7H14/c1-4-10-14(3)11(2)13-12-8-6-5-7-9-12;1-7-5-3-2-4-6-7/h12-13H,2,4-10H2,1,3H3;7H,2-6H2,1H3
InChIKeyASDRTOFTAQWXAO-UHFFFAOYSA-N
XLogP5.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane?
The IUPAC name of 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane (CID 143974622) is 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane.
What is the SMILES notation for 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane?
The canonical SMILES for 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane is C=C(NC1CCCCC1)N(C)CCC.CC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane?
The InChIKey is ASDRTOFTAQWXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C7H14/c1-4-10-14(3)11(2)13-12-8-6-5-7-9-12;1-7-5-3-2-4-6-7/h12-13H,2,4-10H2,1,3H3;7H,2-6H2,1H3.
What are the key properties of 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane?
1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane has a molecular weight of 294.53 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N'-methyl-1-N'-propylethene-1,1-diamine;methylcyclohexane is sourced from PubChem (CID 143974622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).