2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide

C10H21N3O — CID 76928375

IUPAC2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CC1CCCC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12-14)13(2)7-9-5-3-4-6-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyJJSGUNFYXZDVES-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide

2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76928375) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID76928375
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CC1CCCC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12-14)13(2)7-9-5-3-4-6-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyJJSGUNFYXZDVES-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.24
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide (CID 76928375) is 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)CC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is JJSGUNFYXZDVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(10(11)12-14)13(2)7-9-5-3-4-6-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).