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

C15H32N2 — CID 64773894

IUPACN'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCC1CCC(NCC(C)(C)CN(C)C)C(C)C1
InChIInChI=1S/C15H32N2/c1-12-7-8-14(13(2)9-12)16-10-15(3,4)11-17(5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyFBOMKLFEXAXWJO-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.99
Rot. Bonds5

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

N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 64773894) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID64773894
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCC1CCC(NCC(C)(C)CN(C)C)C(C)C1
InChIInChI=1S/C15H32N2/c1-12-7-8-14(13(2)9-12)16-10-15(3,4)11-17(5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyFBOMKLFEXAXWJO-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 64773894) is N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine is CC1CCC(NCC(C)(C)CN(C)C)C(C)C1.
What is the InChIKey of N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is FBOMKLFEXAXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-7-8-14(13(2)9-12)16-10-15(3,4)11-17(5)6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 64773894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).