2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine

C9H22N4 — CID 163619469

IUPAC2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine
SMILESCCNC1(N)CCCCC1(N)NC
InChIInChI=1S/C9H22N4/c1-3-13-9(11)7-5-4-6-8(9,10)12-2/h12-13H,3-7,10-11H2,1-2H3
InChIKeyHMWDSDMMPWAJES-UHFFFAOYSA-N
MW186.30 g/mol
LogP-0.30
Rot. Bonds3

About 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine

2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine (PubChem CID 163619469) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine.

Molecular Properties

Compound Name2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine
PubChem CID163619469
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine
SMILESCCNC1(N)CCCCC1(N)NC
InChIInChI=1S/C9H22N4/c1-3-13-9(11)7-5-4-6-8(9,10)12-2/h12-13H,3-7,10-11H2,1-2H3
InChIKeyHMWDSDMMPWAJES-UHFFFAOYSA-N
XLogP-0.30
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine?
The IUPAC name of 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine (CID 163619469) is 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine.
What is the SMILES notation for 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine?
The canonical SMILES for 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine is CCNC1(N)CCCCC1(N)NC.
What is the InChIKey of 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine?
The InChIKey is HMWDSDMMPWAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-3-13-9(11)7-5-4-6-8(9,10)12-2/h12-13H,3-7,10-11H2,1-2H3.
What are the key properties of 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine?
2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine has a molecular weight of 186.30 g/mol, XLogP of -0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethyl-1-N'-methylcyclohexane-1,1,2,2-tetramine is sourced from PubChem (CID 163619469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).