1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine

C17H25N3O — CID 111078471

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1(O)CCCCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N3O/c18-16(19-12-17(21)9-2-1-3-10-17)20-15-8-7-13-5-4-6-14(13)11-15/h7-8,11,21H,1-6,9-10,12H2,(H3,18,19,20)
InChIKeyNGHUYZSQCSJNHT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.60
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine (PubChem CID 111078471) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
PubChem CID111078471
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1(O)CCCCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N3O/c18-16(19-12-17(21)9-2-1-3-10-17)20-15-8-7-13-5-4-6-14(13)11-15/h7-8,11,21H,1-6,9-10,12H2,(H3,18,19,20)
InChIKeyNGHUYZSQCSJNHT-UHFFFAOYSA-N
XLogP2.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 120662740
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(dimethylamino)oxan-4-yl]methyl]guanidine
CID 111809250
1-(3,4-dimethoxyphenyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078463
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfinylcyclopropyl)methyl]guanidine;hydroiodide
CID 120728008
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
1-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(dimethylamino)thiolan-3-yl]methyl]guanidine;hydroiodide
CID 119142416
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
CID 111435652
1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111088645
2-[(1-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111078425
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111801714

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine (CID 111078471) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine is N/C(=N\CC1(O)CCCCC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine?
The InChIKey is NGHUYZSQCSJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(19-12-17(21)9-2-1-3-10-17)20-15-8-7-13-5-4-6-14(13)11-15/h7-8,11,21H,1-6,9-10,12H2,(H3,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine has a molecular weight of 287.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 111078471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).