1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine

C17H21N3 — CID 110030115

IUPAC1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
SMILESCN(/C(N)=N/CCc1cccc2ccccc12)C1CC1
InChIInChI=1S/C17H21N3/c1-20(15-9-10-15)17(18)19-12-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3,(H2,18,19)
InChIKeySEQHYDUYXRBXRL-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.79
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine

1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine (PubChem CID 110030115) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
PubChem CID110030115
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
SMILESCN(/C(N)=N/CCc1cccc2ccccc12)C1CC1
InChIInChI=1S/C17H21N3/c1-20(15-9-10-15)17(18)19-12-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3,(H2,18,19)
InChIKeySEQHYDUYXRBXRL-UHFFFAOYSA-N
XLogP2.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110030405
1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110030550
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 110031793
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 73350578
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110030763
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine (CID 110030115) is 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine is CN(/C(N)=N/CCc1cccc2ccccc12)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine?
The InChIKey is SEQHYDUYXRBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-20(15-9-10-15)17(18)19-12-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3,(H2,18,19).
What are the key properties of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine?
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine has a molecular weight of 267.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine is sourced from PubChem (CID 110030115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).