3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide

C10H21N3O — CID 61431844

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CCCO1
InChIInChI=1S/C10H21N3O/c1-8(6-10(11)12)13(2)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyFRISJRLSEJURQK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds5

About 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide

3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide (PubChem CID 61431844) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
PubChem CID61431844
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CCCO1
InChIInChI=1S/C10H21N3O/c1-8(6-10(11)12)13(2)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyFRISJRLSEJURQK-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
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

3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanimidamide
CID 116522034
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanimidamide
CID 63177241
3-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanethioamide
CID 65161267
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide (CID 61431844) is 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CC1CCCO1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
The InChIKey is FRISJRLSEJURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(6-10(11)12)13(2)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 61431844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).