2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide

C10H22N4 — CID 63276055

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CC1CCN(C)C1
InChIInChI=1S/C10H22N4/c1-8(10(11)12)14(3)7-9-4-5-13(2)6-9/h8-9H,4-7H2,1-3H3,(H3,11,12)
InChIKeyVRGBJVCTIWWNFZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.19
Rot. Bonds4

About 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide (PubChem CID 63276055) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
PubChem CID63276055
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CC1CCN(C)C1
InChIInChI=1S/C10H22N4/c1-8(10(11)12)14(3)7-9-4-5-13(2)6-9/h8-9H,4-7H2,1-3H3,(H3,11,12)
InChIKeyVRGBJVCTIWWNFZ-UHFFFAOYSA-N
XLogP0.19
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
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

2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
CID 79313935
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63275058
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide (CID 63276055) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide is [H]/N=C(\N)C(C)N(C)CC1CCN(C)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide?
The InChIKey is VRGBJVCTIWWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(10(11)12)14(3)7-9-4-5-13(2)6-9/h8-9H,4-7H2,1-3H3,(H3,11,12).
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide?
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide has a molecular weight of 198.31 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide is sourced from PubChem (CID 63276055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).