2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

C18H29N3O — CID 111792021

IUPAC2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESC/N=C(/NCCCOC1CCCc2ccccc21)NC(C)C
InChIInChI=1S/C18H29N3O/c1-14(2)21-18(19-3)20-12-7-13-22-17-11-6-9-15-8-4-5-10-16(15)17/h4-5,8,10,14,17H,6-7,9,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyLEPANKWULPCBRX-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.04
Rot. Bonds6

About 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (PubChem CID 111792021) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
PubChem CID111792021
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESC/N=C(/NCCCOC1CCCc2ccccc21)NC(C)C
InChIInChI=1S/C18H29N3O/c1-14(2)21-18(19-3)20-12-7-13-22-17-11-6-9-15-8-4-5-10-16(15)17/h4-5,8,10,14,17H,6-7,9,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyLEPANKWULPCBRX-UHFFFAOYSA-N
XLogP3.04
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-ethoxyethyl)-2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111579503
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111795748
2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111579473
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
ethyl 4-[[N'-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111796060
2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
CID 111579470
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The IUPAC name of 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (CID 111792021) is 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The canonical SMILES for 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is C/N=C(/NCCCOC1CCCc2ccccc21)NC(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The InChIKey is LEPANKWULPCBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)21-18(19-3)20-12-7-13-22-17-11-6-9-15-8-4-5-10-16(15)17/h4-5,8,10,14,17H,6-7,9,11-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine has a molecular weight of 303.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is sourced from PubChem (CID 111792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).