4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

C18H36N2 — CID 79123181

IUPAC4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H36N2/c1-5-10-19-16-6-8-17(9-7-16)20(4)18-12-14(2)11-15(3)13-18/h14-19H,5-13H2,1-4H3
InChIKeySYIDCBTXWOOQMR-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds5

About 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 79123181) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID79123181
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H36N2/c1-5-10-19-16-6-8-17(9-7-16)20(4)18-12-14(2)11-15(3)13-18/h14-19H,5-13H2,1-4H3
InChIKeySYIDCBTXWOOQMR-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (CID 79123181) is 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)C2CC(C)CC(C)C2)CC1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is SYIDCBTXWOOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-10-19-16-6-8-17(9-7-16)20(4)18-12-14(2)11-15(3)13-18/h14-19H,5-13H2,1-4H3.
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79123181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).