1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine

C15H20N4 — CID 116511489

IUPAC1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine
SMILESCC(C)C/N=C(\NN)Nc1cccc2ccccc12
InChIInChI=1S/C15H20N4/c1-11(2)10-17-15(19-16)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10,16H2,1-2H3,(H2,17,18,19)
InChIKeyJWVBAQMLAAAVON-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds3

About 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine

1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine (PubChem CID 116511489) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine
PubChem CID116511489
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine
SMILESCC(C)C/N=C(\NN)Nc1cccc2ccccc12
InChIInChI=1S/C15H20N4/c1-11(2)10-17-15(19-16)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10,16H2,1-2H3,(H2,17,18,19)
InChIKeyJWVBAQMLAAAVON-UHFFFAOYSA-N
XLogP2.73
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
1-amino-3-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512523
1-amino-2-ethyl-3-quinolin-8-ylguanidine
CID 116511596
1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine
CID 116515831
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
CID 174599012
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine (CID 116511489) is 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine is CC(C)C/N=C(\NN)Nc1cccc2ccccc12.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine?
The InChIKey is JWVBAQMLAAAVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)10-17-15(19-16)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine?
1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine has a molecular weight of 256.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine is sourced from PubChem (CID 116511489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).