1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine

C8H18N4O — CID 171561590

IUPAC1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC1CC(OC)CN1
InChIInChI=1S/C8H18N4O/c1-12(8(9)10)5-6-3-7(13-2)4-11-6/h6-7,11H,3-5H2,1-2H3,(H3,9,10)
InChIKeyPZIAKEBYHBXLLJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.81
Rot. Bonds3

About 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine

1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine (PubChem CID 171561590) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine
PubChem CID171561590
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC1CC(OC)CN1
InChIInChI=1S/C8H18N4O/c1-12(8(9)10)5-6-3-7(13-2)4-11-6/h6-7,11H,3-5H2,1-2H3,(H3,9,10)
InChIKeyPZIAKEBYHBXLLJ-UHFFFAOYSA-N
XLogP-0.81
TPSA74.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
1-[(2S)-1-ethyl-4-methoxypyrrolidin-2-yl]-N-methylmethanamine
CID 53635696
1-(4-methoxypyrrolidin-2-yl)-N,N-dimethylmethanamine
CID 61214232
[(4-Methoxy-1-methylpyrrolidin-2-yl)methyl](methyl)amine
CID 122237409
4-Methoxy-2-(methylaminomethyl)pyrrolidine-1-carboximidamide
CID 171561712
2-[(Dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
CID 178003632
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 55002090
N-butan-2-yl-N-[(4-methoxypyrrolidin-2-yl)methyl]butan-1-amine
CID 55004765
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylbutan-1-amine
CID 61213225
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]butan-1-amine
CID 61213511
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylpentan-3-amine
CID 61213515

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine?
The IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine (CID 171561590) is 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine?
The canonical SMILES for 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine is [H]/N=C(\N)N(C)CC1CC(OC)CN1.
What is the InChIKey of 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine?
The InChIKey is PZIAKEBYHBXLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-12(8(9)10)5-6-3-7(13-2)4-11-6/h6-7,11H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine?
1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine has a molecular weight of 186.26 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-2-yl)methyl]-1-methylguanidine is sourced from PubChem (CID 171561590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).