N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide

C10H21N3 — CID 63175990

IUPACN'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\CC1CCN(C)C1
InChIInChI=1S/C10H21N3/c1-3-4-10(11)12-7-9-5-6-13(2)8-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyFYLFDVAFEALAMK-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.10
Rot. Bonds4

About N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide

N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide (PubChem CID 63175990) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide.

Molecular Properties

Compound NameN'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
PubChem CID63175990
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\CC1CCN(C)C1
InChIInChI=1S/C10H21N3/c1-3-4-10(11)12-7-9-5-6-13(2)8-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyFYLFDVAFEALAMK-UHFFFAOYSA-N
XLogP1.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
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

2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
N'-(1-methylpyrrolidin-3-yl)butanimidamide
CID 63177561
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
N'-[(1,1-dioxothiolan-2-yl)methyl]butanimidamide
CID 81047055
2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
CID 63178163
1-(2,6-diethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065335
2-[(1-methylpiperidin-3-yl)methyl]-1-octylguanidine;hydroiodide
CID 111802035

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide?
The IUPAC name of N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide (CID 63175990) is N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide.
What is the SMILES notation for N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide?
The canonical SMILES for N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide is CCC/C(N)=N\CC1CCN(C)C1.
What is the InChIKey of N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide?
The InChIKey is FYLFDVAFEALAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-4-10(11)12-7-9-5-6-13(2)8-9/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide?
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide is sourced from PubChem (CID 63175990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).