1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine

C17H27N3 — CID 111868598

IUPAC1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine
SMILESC/N=C(/NCCCCCc1ccccc1)NCC1CC1
InChIInChI=1S/C17H27N3/c1-18-17(20-14-16-11-12-16)19-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H2,18,19,20)
InChIKeyIUZGJSFBDOGLGO-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.97
Rot. Bonds8

About 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine

1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine (PubChem CID 111868598) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine
PubChem CID111868598
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine
SMILESC/N=C(/NCCCCCc1ccccc1)NCC1CC1
InChIInChI=1S/C17H27N3/c1-18-17(20-14-16-11-12-16)19-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H2,18,19,20)
InChIKeyIUZGJSFBDOGLGO-UHFFFAOYSA-N
XLogP2.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[(1-methylpiperidin-4-yl)methyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199289
2-methyl-1-(5-phenylpentyl)-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559338
2-methyl-1-(5-phenylpentyl)-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111559337
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-(5-phenylpentyl)guanidine;hydroiodide
CID 111642363
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111199352
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199535
1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine
CID 111867904
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198845
tert-butyl 4-[[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111198792
1-(2-ethoxyethyl)-2-methyl-3-(5-phenylpentyl)guanidine;hydroiodide
CID 111895474
2-methyl-1-pentyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111130530

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine (CID 111868598) is 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine is C/N=C(/NCCCCCc1ccccc1)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine?
The InChIKey is IUZGJSFBDOGLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-17(20-14-16-11-12-16)19-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H2,18,19,20).
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine?
1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine has a molecular weight of 273.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine is sourced from PubChem (CID 111868598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).