4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine

C16H34N2O — CID 112587794

IUPAC4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCOC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-11-17-14-7-9-15(10-8-14)18(5)12-13-19-16(2,3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyYDLXKCYQACBUQD-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.04
Rot. Bonds7

About 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine (PubChem CID 112587794) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
PubChem CID112587794
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCOC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-11-17-14-7-9-15(10-8-14)18(5)12-13-19-16(2,3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyYDLXKCYQACBUQD-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine (CID 112587794) is 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)CCOC(C)(C)C)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is YDLXKCYQACBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-11-17-14-7-9-15(10-8-14)18(5)12-13-19-16(2,3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 270.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 112587794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).