1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine

C15H23N3O — CID 111810564

IUPAC1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/CC1CC1c1ccccc1
InChIInChI=1S/C15H23N3O/c1-11(10-19-2)18-15(16)17-9-13-8-14(13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H3,16,17,18)
InChIKeyRSNXJZGAEZVZJY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine

1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine (PubChem CID 111810564) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
PubChem CID111810564
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/CC1CC1c1ccccc1
InChIInChI=1S/C15H23N3O/c1-11(10-19-2)18-15(16)17-9-13-8-14(13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H3,16,17,18)
InChIKeyRSNXJZGAEZVZJY-UHFFFAOYSA-N
XLogP1.73
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111829214
2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide
CID 111810605
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
CID 111801514
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800036
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817664
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111026675
1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
1-(1-methoxypropan-2-yl)-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029818
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine (CID 111810564) is 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine is COCC(C)N/C(N)=N/CC1CC1c1ccccc1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
The InChIKey is RSNXJZGAEZVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(10-19-2)18-15(16)17-9-13-8-14(13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 111810564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).