2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

C15H24N4 — CID 106553699

IUPAC2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCc1cn(C2CC2)c(N2CC3CCCC(N)C3C2)n1
InChIInChI=1S/C15H24N4/c1-10-7-19(12-5-6-12)15(17-10)18-8-11-3-2-4-14(16)13(11)9-18/h7,11-14H,2-6,8-9,16H2,1H3
InChIKeyRKBKROBIXJEGDF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds2

About 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (PubChem CID 106553699) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
PubChem CID106553699
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCc1cn(C2CC2)c(N2CC3CCCC(N)C3C2)n1
InChIInChI=1S/C15H24N4/c1-10-7-19(12-5-6-12)15(17-10)18-8-11-3-2-4-14(16)13(11)9-18/h7,11-14H,2-6,8-9,16H2,1H3
InChIKeyRKBKROBIXJEGDF-UHFFFAOYSA-N
XLogP2.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine with MolForge

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Related Compounds

2-(4-methyl-1-propan-2-ylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 106553706
1-(1-cyclopropyl-4-methylimidazol-2-yl)-3-methylpiperazine
CID 106552964
1-cyclobutyl-4-methylimidazol-2-amine
CID 103840674
7-[(3aS,4S,7aR)-4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14988953
3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553504
2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 107875188
1-(1-cyclopropyl-4-methylimidazol-2-yl)-2-methylpiperidin-4-amine
CID 106553466
2-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)pyrimidine-4-carbonitrile
CID 107552715
2-(3-bromo-4-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 113452088
3-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)pyrazine-2-carbonitrile
CID 113414758
2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106552005
N-cyclobutyl-1-cyclopropyl-4-methylimidazol-2-amine
CID 106571424

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The IUPAC name of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (CID 106553699) is 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.
What is the SMILES notation for 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The canonical SMILES for 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is Cc1cn(C2CC2)c(N2CC3CCCC(N)C3C2)n1.
What is the InChIKey of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The InChIKey is RKBKROBIXJEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10-7-19(12-5-6-12)15(17-10)18-8-11-3-2-4-14(16)13(11)9-18/h7,11-14H,2-6,8-9,16H2,1H3.
What are the key properties of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is sourced from PubChem (CID 106553699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).