3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine

C22H39N — CID 54052994

IUPAC3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine
SMILESCC(C)(C)C=C1CCCC(NC2CCCC(=CC(C)(C)C)C2)C1
InChIInChI=1S/C22H39N/c1-21(2,3)15-17-9-7-11-19(13-17)23-20-12-8-10-18(14-20)16-22(4,5)6/h15-16,19-20,23H,7-14H2,1-6H3
InChIKeyLUGDIDKWNUMZBN-UHFFFAOYSA-N
MW317.56 g/mol
LogP6.41
Rot. Bonds2

About 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine

3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine (PubChem CID 54052994) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine
PubChem CID54052994
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine
SMILESCC(C)(C)C=C1CCCC(NC2CCCC(=CC(C)(C)C)C2)C1
InChIInChI=1S/C22H39N/c1-21(2,3)15-17-9-7-11-19(13-17)23-20-12-8-10-18(14-20)16-22(4,5)6/h15-16,19-20,23H,7-14H2,1-6H3
InChIKeyLUGDIDKWNUMZBN-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine (CID 54052994) is 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine is CC(C)(C)C=C1CCCC(NC2CCCC(=CC(C)(C)C)C2)C1.
What is the InChIKey of 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine?
The InChIKey is LUGDIDKWNUMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-21(2,3)15-17-9-7-11-19(13-17)23-20-12-8-10-18(14-20)16-22(4,5)6/h15-16,19-20,23H,7-14H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine?
3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine has a molecular weight of 317.56 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylidene)-N-[3-(2,2-dimethylpropylidene)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 54052994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).