1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine

C15H24N4 — CID 124628337

IUPAC1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N4/c1-16-15(17-2)18-10-14-8-9-19(12-14)11-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyRHTAPFYIMSXFJI-AWEZNQCLSA-N
MW260.38 g/mol
LogP1.30
Rot. Bonds4

About 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine

1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine (PubChem CID 124628337) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
PubChem CID124628337
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N4/c1-16-15(17-2)18-10-14-8-9-19(12-14)11-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyRHTAPFYIMSXFJI-AWEZNQCLSA-N
XLogP1.30
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.30
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-benzyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 110954008
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
1-(1-benzylpiperidin-4-yl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110986775
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
1-benzyl-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110954003
1-tert-butyl-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110965109
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110985940
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198845
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine (CID 124628337) is 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NC[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine?
The InChIKey is RHTAPFYIMSXFJI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-15(17-2)18-10-14-8-9-19(12-14)11-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine?
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine has a molecular weight of 260.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 124628337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).