1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol

C18H27NO — CID 65121119

IUPAC1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H27NO/c1-14-4-3-9-18(20,11-14)13-19-12-15-7-8-16-5-2-6-17(16)10-15/h7-8,10,14,19-20H,2-6,9,11-13H2,1H3
InChIKeyONZQAYXDQVCSCP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.21
Rot. Bonds4

About 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol

1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65121119) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65121119
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H27NO/c1-14-4-3-9-18(20,11-14)13-19-12-15-7-8-16-5-2-6-17(16)10-15/h7-8,10,14,19-20H,2-6,9,11-13H2,1H3
InChIKeyONZQAYXDQVCSCP-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
N'-hydroxy-3-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056880
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol (CID 65121119) is 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is ONZQAYXDQVCSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-4-3-9-18(20,11-14)13-19-12-15-7-8-16-5-2-6-17(16)10-15/h7-8,10,14,19-20H,2-6,9,11-13H2,1H3.
What are the key properties of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.21, 4 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-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65121119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).