N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine

C11H26N2 — CID 123484183

IUPACN',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine
SMILESCCCC(C)(CC)NCCN(C)C
InChIInChI=1S/C11H26N2/c1-6-8-11(3,7-2)12-9-10-13(4)5/h12H,6-10H2,1-5H3
InChIKeyMYJRSXIZJZCIQY-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds7

About N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine (PubChem CID 123484183) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine
PubChem CID123484183
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine
SMILESCCCC(C)(CC)NCCN(C)C
InChIInChI=1S/C11H26N2/c1-6-8-11(3,7-2)12-9-10-13(4)5/h12H,6-10H2,1-5H3
InChIKeyMYJRSXIZJZCIQY-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine (CID 123484183) is N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine is CCCC(C)(CC)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine?
The InChIKey is MYJRSXIZJZCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-8-11(3,7-2)12-9-10-13(4)5/h12H,6-10H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methylhexan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 123484183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).