4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine

C18H30N2 — CID 79115828

IUPAC4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1c(C)cc(C)cc1C)C1CCC(N)CC1
InChIInChI=1S/C18H30N2/c1-5-20(17-8-6-16(19)7-9-17)12-18-14(3)10-13(2)11-15(18)4/h10-11,16-17H,5-9,12,19H2,1-4H3
InChIKeyZXUYULKAFFBHIB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.70
Rot. Bonds4

About 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 79115828) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID79115828
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1c(C)cc(C)cc1C)C1CCC(N)CC1
InChIInChI=1S/C18H30N2/c1-5-20(17-8-6-16(19)7-9-17)12-18-14(3)10-13(2)11-15(18)4/h10-11,16-17H,5-9,12,19H2,1-4H3
InChIKeyZXUYULKAFFBHIB-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10360469
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CID 10735696
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CID 12986256
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CID 22499189
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CID 24854518
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CID 45263105
CID 45263105

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine (CID 79115828) is 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine is CCN(Cc1c(C)cc(C)cc1C)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is ZXUYULKAFFBHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(17-8-6-16(19)7-9-17)12-18-14(3)10-13(2)11-15(18)4/h10-11,16-17H,5-9,12,19H2,1-4H3.
What are the key properties of 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79115828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).