1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine

C15H20N4O — CID 116514097

IUPAC1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H20N4O/c1-11(10-20-2)17-15(19-16)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10,16H2,1-2H3,(H2,17,18,19)
InChIKeyABCPAXHZYHRXIF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds4

About 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine

1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine (PubChem CID 116514097) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
PubChem CID116514097
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H20N4O/c1-11(10-20-2)17-15(19-16)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10,16H2,1-2H3,(H2,17,18,19)
InChIKeyABCPAXHZYHRXIF-UHFFFAOYSA-N
XLogP2.11
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(1-methoxypropan-2-yl)-3-quinolin-3-ylguanidine
CID 116511116
1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116513815
1-amino-3-(3-bromo-4-fluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116516443
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
CID 116513645
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
1-amino-3-(2-chloro-4,6-difluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104887980
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
1-amino-3-(3,5-dimethoxyphenyl)-2-propan-2-ylguanidine
CID 116511960
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine?
The IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine (CID 116514097) is 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine?
The canonical SMILES for 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine is COCC(C)/N=C(\NN)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine?
The InChIKey is ABCPAXHZYHRXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(10-20-2)17-15(19-16)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine?
1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine has a molecular weight of 272.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine is sourced from PubChem (CID 116514097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).