1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol

C19H29NO — CID 79125708

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(C2(CN)Cc3ccccc3C2)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-7-9-19(21,10-8-15)18(13-20)11-16-5-3-4-6-17(16)12-18/h3-6,14-15,21H,7-13,20H2,1-2H3
InChIKeyCEKKIDFJXDOKRF-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.31
Rot. Bonds3

About 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79125708) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID79125708
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(C2(CN)Cc3ccccc3C2)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-7-9-19(21,10-8-15)18(13-20)11-16-5-3-4-6-17(16)12-18/h3-6,14-15,21H,7-13,20H2,1-2H3
InChIKeyCEKKIDFJXDOKRF-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
CID 79123441
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125705
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125376
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
CID 79135943
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
CID 79135402
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]piperidin-4-ol
CID 79136036
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol (CID 79125708) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(C2(CN)Cc3ccccc3C2)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is CEKKIDFJXDOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)15-7-9-19(21,10-8-15)18(13-20)11-16-5-3-4-6-17(16)12-18/h3-6,14-15,21H,7-13,20H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79125708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).