3-[cyclopropylmethyl(methyl)amino]butanimidamide

C9H19N3 — CID 60984083

IUPAC3-[cyclopropylmethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CC1
InChIInChI=1S/C9H19N3/c1-7(5-9(10)11)12(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyKFUUZOBBRBPBTK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.04
Rot. Bonds5

About 3-[cyclopropylmethyl(methyl)amino]butanimidamide

3-[cyclopropylmethyl(methyl)amino]butanimidamide (PubChem CID 60984083) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]butanimidamide
PubChem CID60984083
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-[cyclopropylmethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CC1
InChIInChI=1S/C9H19N3/c1-7(5-9(10)11)12(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyKFUUZOBBRBPBTK-UHFFFAOYSA-N
XLogP1.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.04
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

3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanimidamide
CID 116522034
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
2-[cyclopropylmethyl(propyl)amino]ethanimidamide
CID 61441797
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
3-(diethylamino)butanimidamide
CID 60913341
3-[(3,4-dimethylcyclohexyl)-methylamino]butanimidamide
CID 64740957
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]butanimidamide?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]butanimidamide (CID 60984083) is 3-[cyclopropylmethyl(methyl)amino]butanimidamide.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]butanimidamide?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]butanimidamide?
The InChIKey is KFUUZOBBRBPBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(5-9(10)11)12(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]butanimidamide?
3-[cyclopropylmethyl(methyl)amino]butanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]butanimidamide is sourced from PubChem (CID 60984083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).