2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol

C19H29NO — CID 79124965

IUPAC2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
SMILESCCCC1CCC(CN)(C2(O)Cc3ccccc3C2)CC1
InChIInChI=1S/C19H29NO/c1-2-5-15-8-10-18(14-20,11-9-15)19(21)12-16-6-3-4-7-17(16)13-19/h3-4,6-7,15,21H,2,5,8-14,20H2,1H3
InChIKeyFPPKGCZUNDPMLZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.45
Rot. Bonds4

About 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol

2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol (PubChem CID 79124965) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
PubChem CID79124965
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
SMILESCCCC1CCC(CN)(C2(O)Cc3ccccc3C2)CC1
InChIInChI=1S/C19H29NO/c1-2-5-15-8-10-18(14-20,11-9-15)19(21)12-16-6-3-4-7-17(16)13-19/h3-4,6-7,15,21H,2,5,8-14,20H2,1H3
InChIKeyFPPKGCZUNDPMLZ-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
CID 79126623
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
CID 79123419
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
CID 79123441
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125708

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol (CID 79124965) is 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol is CCCC1CCC(CN)(C2(O)Cc3ccccc3C2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol?
The InChIKey is FPPKGCZUNDPMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-5-15-8-10-18(14-20,11-9-15)19(21)12-16-6-3-4-7-17(16)13-19/h3-4,6-7,15,21H,2,5,8-14,20H2,1H3.
What are the key properties of 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol?
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol has a molecular weight of 287.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 79124965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).