1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol

C16H23NO — CID 54937894

IUPAC1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCc3ccccc32)CCCCC1
InChIInChI=1S/C16H23NO/c18-16(10-4-1-5-11-16)12-17-15-9-8-13-6-2-3-7-14(13)15/h2-3,6-7,15,17-18H,1,4-5,8-12H2
InChIKeyLKNJYJQMZQDROG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.96
Rot. Bonds3

About 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol

1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol (PubChem CID 54937894) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
PubChem CID54937894
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCc3ccccc32)CCCCC1
InChIInChI=1S/C16H23NO/c18-16(10-4-1-5-11-16)12-17-15-9-8-13-6-2-3-7-14(13)15/h2-3,6-7,15,17-18H,1,4-5,8-12H2
InChIKeyLKNJYJQMZQDROG-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
CID 81131273
1-[(3,4-dihydro-1H-isothiochromen-4-ylamino)methyl]cycloheptan-1-ol
CID 65123195
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986948
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986947
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 80723040
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424384
1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol
CID 115466533
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol (CID 54937894) is 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol is OC1(CNC2CCc3ccccc32)CCCCC1.
What is the InChIKey of 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is LKNJYJQMZQDROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(10-4-1-5-11-16)12-17-15-9-8-13-6-2-3-7-14(13)15/h2-3,6-7,15,17-18H,1,4-5,8-12H2.
What are the key properties of 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol?
1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 54937894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).