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

C18H27NO — CID 79123441

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2(CN)Cc3ccccc3C2)CC1
InChIInChI=1S/C18H27NO/c1-16(2)7-9-18(20,10-8-16)17(13-19)11-14-5-3-4-6-15(14)12-17/h3-6,20H,7-13,19H2,1-2H3
InChIKeyNHGHMZBKHHDPDC-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.06
Rot. Bonds2

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

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 79123441) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
PubChem CID79123441
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2(CN)Cc3ccccc3C2)CC1
InChIInChI=1S/C18H27NO/c1-16(2)7-9-18(20,10-8-16)17(13-19)11-14-5-3-4-6-15(14)12-17/h3-6,20H,7-13,19H2,1-2H3
InChIKeyNHGHMZBKHHDPDC-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125708
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125376
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)cycloheptyl]-1,3-dihydroinden-2-ol
CID 79126623
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
CID 79123419
3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
CID 81468062
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol (CID 79123441) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(C2(CN)Cc3ccccc3C2)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is NHGHMZBKHHDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-16(2)7-9-18(20,10-8-16)17(13-19)11-14-5-3-4-6-15(14)12-17/h3-6,20H,7-13,19H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.06, 2 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]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79123441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).