3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine

C13H24N4 — CID 71177561

IUPAC3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine
SMILESCC1=CCC(C2=C(N)C(N)C(C)C(N)C2C)N1
InChIInChI=1S/C13H24N4/c1-6-4-5-9(17-6)10-7(2)11(14)8(3)12(15)13(10)16/h4,7-9,11-12,17H,5,14-16H2,1-3H3
InChIKeyZFHUHIVRMMJPLW-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.41
Rot. Bonds1

About 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine

3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine (PubChem CID 71177561) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine.

Molecular Properties

Compound Name3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine
PubChem CID71177561
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine
SMILESCC1=CCC(C2=C(N)C(N)C(C)C(N)C2C)N1
InChIInChI=1S/C13H24N4/c1-6-4-5-9(17-6)10-7(2)11(14)8(3)12(15)13(10)16/h4,7-9,11-12,17H,5,14-16H2,1-3H3
InChIKeyZFHUHIVRMMJPLW-UHFFFAOYSA-N
XLogP0.41
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine with MolForge

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Related Compounds

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CID 163743201
6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine
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3-[(4R)-4-methylcyclohexen-1-yl]-N-propan-2-ylbutan-1-amine
CID 21158872
3-[(4S)-4-methylcyclohexen-1-yl]-N-propan-2-ylbutan-1-amine
CID 21158878
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5-methyl-2-propan-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
CID 68130660
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CID 68341266
4-Methyl-6-(3-methylbut-1-en-2-yl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523664
6-Hexyl-4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523824
(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine
CID 70960155
2,6-Dimethyl-1,2,3,4,4a,5,6,7-octahydropyrrolo[3,2-f]indole
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine?
The IUPAC name of 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine (CID 71177561) is 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine.
What is the SMILES notation for 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine?
The canonical SMILES for 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine is CC1=CCC(C2=C(N)C(N)C(C)C(N)C2C)N1.
What is the InChIKey of 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine?
The InChIKey is ZFHUHIVRMMJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-4-5-9(17-6)10-7(2)11(14)8(3)12(15)13(10)16/h4,7-9,11-12,17H,5,14-16H2,1-3H3.
What are the key properties of 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine?
3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine has a molecular weight of 236.36 g/mol, XLogP of 0.41, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(5-methyl-2,3-dihydro-1H-pyrrol-2-yl)cyclohex-6-ene-1,2,4-triamine is sourced from PubChem (CID 71177561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).