1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine

C17H36N2 — CID 63490991

IUPAC1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
SMILESCCC1CCC(N(C)C(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-14-9-11-16(12-10-14)19(6)15(8-2)13-18-17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyQQEVMRNOFCRVTF-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.05
Rot. Bonds6

About 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine

1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine (PubChem CID 63490991) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
PubChem CID63490991
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
SMILESCCC1CCC(N(C)C(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-14-9-11-16(12-10-14)19(6)15(8-2)13-18-17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyQQEVMRNOFCRVTF-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine (CID 63490991) is 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine is CCC1CCC(N(C)C(CC)CNC(C)(C)C)CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is QQEVMRNOFCRVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-14-9-11-16(12-10-14)19(6)15(8-2)13-18-17(3,4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 63490991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).