1-N,1-N-diethyl-5-methylhexane-1,4-diamine

C11H26N2 — CID 86052588

IUPAC1-N,1-N-diethyl-5-methylhexane-1,4-diamine
SMILESCCN(CC)CCCC(N)C(C)C
InChIInChI=1S/C11H26N2/c1-5-13(6-2)9-7-8-11(12)10(3)4/h10-11H,5-9,12H2,1-4H3
InChIKeyZPSRHTNTDBAARE-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

About 1-N,1-N-diethyl-5-methylhexane-1,4-diamine

1-N,1-N-diethyl-5-methylhexane-1,4-diamine (PubChem CID 86052588) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,1-N-diethyl-5-methylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-5-methylhexane-1,4-diamine
PubChem CID86052588
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,1-N-diethyl-5-methylhexane-1,4-diamine
SMILESCCN(CC)CCCC(N)C(C)C
InChIInChI=1S/C11H26N2/c1-5-13(6-2)9-7-8-11(12)10(3)4/h10-11H,5-9,12H2,1-4H3
InChIKeyZPSRHTNTDBAARE-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-5-methylhexane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-5-methylhexane-1,4-diamine (CID 86052588) is 1-N,1-N-diethyl-5-methylhexane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-5-methylhexane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-5-methylhexane-1,4-diamine is CCN(CC)CCCC(N)C(C)C.
What is the InChIKey of 1-N,1-N-diethyl-5-methylhexane-1,4-diamine?
The InChIKey is ZPSRHTNTDBAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-13(6-2)9-7-8-11(12)10(3)4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-5-methylhexane-1,4-diamine?
1-N,1-N-diethyl-5-methylhexane-1,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-5-methylhexane-1,4-diamine is sourced from PubChem (CID 86052588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).