N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide

C10H21N3O — CID 77027223

IUPACN'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
SMILESCC(NCC1(C)CCCC1)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-8(9(11)13-14)12-7-10(2)5-3-4-6-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyZNHBDPWFHUYHHD-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.29
Rot. Bonds4

About N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide

N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide (PubChem CID 77027223) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
PubChem CID77027223
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
SMILESCC(NCC1(C)CCCC1)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-8(9(11)13-14)12-7-10(2)5-3-4-6-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyZNHBDPWFHUYHHD-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
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 N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide (CID 77027223) is N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide is CC(NCC1(C)CCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide?
The InChIKey is ZNHBDPWFHUYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(9(11)13-14)12-7-10(2)5-3-4-6-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide?
N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide is sourced from PubChem (CID 77027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).