2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine

C18H30N2 — CID 83216626

IUPAC2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCNC1CCCc2cn(CC3CCCCC3)cc21
InChIInChI=1S/C18H30N2/c1-2-11-19-18-10-6-9-16-13-20(14-17(16)18)12-15-7-4-3-5-8-15/h13-15,18-19H,2-12H2,1H3
InChIKeyAFNZPRPQNRKSGX-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.45
Rot. Bonds5

About 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine

2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83216626) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83216626
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCNC1CCCc2cn(CC3CCCCC3)cc21
InChIInChI=1S/C18H30N2/c1-2-11-19-18-10-6-9-16-13-20(14-17(16)18)12-15-7-4-3-5-8-15/h13-15,18-19H,2-12H2,1H3
InChIKeyAFNZPRPQNRKSGX-UHFFFAOYSA-N
XLogP4.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydroisoindole
CID 11788296
4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571645
2-Methyl-4,5,6,7-tetrahydroisoindole
CID 58435762
N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571646
N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571647
(3R)-2-[6-[(Z)-1-fluoro-2-[(Z)-prop-1-enyl]hex-4-enyl]-2-methyl-4,5,6,7-tetrahydroisoindol-4-yl]-N,1,2,4-tetramethylazetidin-3-amine
CID 126703336
(4aR)-1-propyl-2,3,4,4a,5,7,9,9a-octahydropyrrolo[3,4-g]quinoline
CID 44363265
(4aR)-2,3,4,4a,5,7,9,9a-octahydro-1H-pyrrolo[3,4-g]quinoline
CID 44363558
(4aR)-1-methyl-2,3,4,4a,5,7,9,9a-octahydropyrrolo[3,4-g]quinoline
CID 44363586
2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83203091
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83203667
2-[(3-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83203964

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83216626) is 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine is CCCNC1CCCc2cn(CC3CCCCC3)cc21.
What is the InChIKey of 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is AFNZPRPQNRKSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-11-19-18-10-6-9-16-13-20(14-17(16)18)12-15-7-4-3-5-8-15/h13-15,18-19H,2-12H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 274.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83216626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).