[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine

C16H24N2 — CID 55051740

IUPAC[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(CN2Cc3ccccc3C2)CCCCC1
InChIInChI=1S/C16H24N2/c17-12-16(8-4-1-5-9-16)13-18-10-14-6-2-3-7-15(14)11-18/h2-3,6-7H,1,4-5,8-13,17H2
InChIKeyRIMDFBKHZNANPP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.91
Rot. Bonds3

About [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine

[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 55051740) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
PubChem CID55051740
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(CN2Cc3ccccc3C2)CCCCC1
InChIInChI=1S/C16H24N2/c17-12-16(8-4-1-5-9-16)13-18-10-14-6-2-3-7-15(14)11-18/h2-3,6-7H,1,4-5,8-13,17H2
InChIKeyRIMDFBKHZNANPP-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
CID 104678682
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
CID 115453899
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-yl]methanamine
CID 63152906
[1-(3,4-dihydro-2H-quinolin-1-ylmethyl)cyclopentyl]methanamine
CID 55051906
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
CID 113313048
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine
CID 63495649
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine
CID 63153211
(1-benzylcycloheptyl)methanamine
CID 65391702

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine (CID 55051740) is [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine is NCC1(CN2Cc3ccccc3C2)CCCCC1.
What is the InChIKey of [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is RIMDFBKHZNANPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-12-16(8-4-1-5-9-16)13-18-10-14-6-2-3-7-15(14)11-18/h2-3,6-7H,1,4-5,8-13,17H2.
What are the key properties of [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine?
[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 55051740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).