1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

C18H36N2O — CID 114466187

IUPAC1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)13-21-11-10-20-17(12-19)15-6-8-16(9-7-15)18(3,4)5/h15-17,20H,1,6-13,19H2,2-5H3
InChIKeyWSRACCTWFTXNDB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.35
Rot. Bonds8

About 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114466187) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114466187
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)13-21-11-10-20-17(12-19)15-6-8-16(9-7-15)18(3,4)5/h15-17,20H,1,6-13,19H2,2-5H3
InChIKeyWSRACCTWFTXNDB-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 114466187) is 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNC(CN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is WSRACCTWFTXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)13-21-11-10-20-17(12-19)15-6-8-16(9-7-15)18(3,4)5/h15-17,20H,1,6-13,19H2,2-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114466187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).