1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine

C17H27N3O — CID 111772898

IUPAC1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCc1c(O)ccc2c1CCCC2)NCC(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)10-19-17(18-3)20-11-15-14-7-5-4-6-13(14)8-9-16(15)21/h8-9,12,21H,4-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyHPHDWUKXKCKSIA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds4

About 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine

1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine (PubChem CID 111772898) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
PubChem CID111772898
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCc1c(O)ccc2c1CCCC2)NCC(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)10-19-17(18-3)20-11-15-14-7-5-4-6-13(14)8-9-16(15)21/h8-9,12,21H,4-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyHPHDWUKXKCKSIA-UHFFFAOYSA-N
XLogP2.59
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111772003
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111776586
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111772958
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methylguanidine
CID 111774762
1-[3-(cyclopropylmethoxy)propyl]-3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methylguanidine;hydroiodide
CID 111776367
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methylguanidine
CID 111774556
N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide
CID 146083715
4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 117283819
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111177914
2-methyl-1-(2-methylpropyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111179008
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110977782
2-methyl-1-(2-methylpropyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 111180132

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine (CID 111772898) is 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine is C/N=C(/NCc1c(O)ccc2c1CCCC2)NCC(C)C.
What is the InChIKey of 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
The InChIKey is HPHDWUKXKCKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)10-19-17(18-3)20-11-15-14-7-5-4-6-13(14)8-9-16(15)21/h8-9,12,21H,4-7,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine has a molecular weight of 289.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111772898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).