1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine

C16H25N3O — CID 110954544

IUPAC1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCC1CC1)NCc1ccccc1
InChIInChI=1S/C16H25N3O/c1-17-16(19-12-14-6-3-2-4-7-14)18-10-5-11-20-13-15-8-9-15/h2-4,6-7,15H,5,8-13H2,1H3,(H2,17,18,19)
InChIKeySPXGLUCPLOYSOD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds8

About 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine

1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine (PubChem CID 110954544) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
PubChem CID110954544
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCC1CC1)NCc1ccccc1
InChIInChI=1S/C16H25N3O/c1-17-16(19-12-14-6-3-2-4-7-14)18-10-5-11-20-13-15-8-9-15/h2-4,6-7,15H,5,8-13H2,1H3,(H2,17,18,19)
InChIKeySPXGLUCPLOYSOD-UHFFFAOYSA-N
XLogP2.17
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.17
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

2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111643343
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[(4-methylsulfanylphenyl)methyl]guanidine
CID 111392233
1-[(3-bromophenyl)methyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111391340
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111392800
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[(4-phenylmethoxyphenyl)methyl]guanidine
CID 111644190
1-[3-(cyclopropylmethoxy)propyl]-3-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111390660
1-[2-[benzyl(methyl)amino]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111392568
1-[3-(cyclopropylmethoxy)propyl]-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111391698
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111391832
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111759865
1-[(6-chloro-3-pyridinyl)methyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111392769
1-[3-(cyclopropylmethoxy)propyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111201013

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine (CID 110954544) is 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine is C/N=C(\NCCCOCC1CC1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine?
The InChIKey is SPXGLUCPLOYSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-16(19-12-14-6-3-2-4-7-14)18-10-5-11-20-13-15-8-9-15/h2-4,6-7,15H,5,8-13H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine?
1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine has a molecular weight of 275.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 110954544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).