4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine

C9H19N3 — CID 89473980

IUPAC4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine
SMILESCNCCNC1CC=C(N)CC1
InChIInChI=1S/C9H19N3/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2,9,11-12H,3-7,10H2,1H3
InChIKeyFIGNIZBWAQGZJZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.19
Rot. Bonds4

About 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine

4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine (PubChem CID 89473980) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine
PubChem CID89473980
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine
SMILESCNCCNC1CC=C(N)CC1
InChIInChI=1S/C9H19N3/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2,9,11-12H,3-7,10H2,1H3
InChIKeyFIGNIZBWAQGZJZ-UHFFFAOYSA-N
XLogP0.19
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine?
The IUPAC name of 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine (CID 89473980) is 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine?
The canonical SMILES for 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine is CNCCNC1CC=C(N)CC1.
What is the InChIKey of 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine?
The InChIKey is FIGNIZBWAQGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2,9,11-12H,3-7,10H2,1H3.
What are the key properties of 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine?
4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(methylamino)ethyl]cyclohexene-1,4-diamine is sourced from PubChem (CID 89473980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).