N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine

C15H32N2 — CID 782244

IUPACN'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCC1CCC(NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C15H32N2/c1-6-13-7-9-14(10-8-13)16-11-15(2,3)12-17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyKDHUWOJOZNWUJE-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 782244) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID782244
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCC1CCC(NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C15H32N2/c1-6-13-7-9-14(10-8-13)16-11-15(2,3)12-17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyKDHUWOJOZNWUJE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 782244) is N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine is CCC1CCC(NCC(C)(C)CN(C)C)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is KDHUWOJOZNWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-13-7-9-14(10-8-13)16-11-15(2,3)12-17(4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 782244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).