N-amino-N'-cyclopentyl-2-propoxyethanimidamide

C10H21N3O — CID 107940791

IUPACN-amino-N'-cyclopentyl-2-propoxyethanimidamide
SMILESCCCOC/C(=N\C1CCCC1)NN
InChIInChI=1S/C10H21N3O/c1-2-7-14-8-10(13-11)12-9-5-3-4-6-9/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyXORNHZIOWNMDIZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.22
Rot. Bonds5

About N-amino-N'-cyclopentyl-2-propoxyethanimidamide

N-amino-N'-cyclopentyl-2-propoxyethanimidamide (PubChem CID 107940791) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-propoxyethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-propoxyethanimidamide
PubChem CID107940791
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-amino-N'-cyclopentyl-2-propoxyethanimidamide
SMILESCCCOC/C(=N\C1CCCC1)NN
InChIInChI=1S/C10H21N3O/c1-2-7-14-8-10(13-11)12-9-5-3-4-6-9/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyXORNHZIOWNMDIZ-UHFFFAOYSA-N
XLogP1.22
TPSA59.64 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclohexyl-3-propoxypropanimidamide
CID 62717370
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide
CID 103940514
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
CID 61363310
1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
CID 104888558
N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide
CID 104928915
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
N-amino-N'-cyclopentyl-2-methylbutanimidamide
CID 61361320
N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide
CID 61362533
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
N-amino-N'-cycloheptyl-2-methylbutanimidamide
CID 61361542

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-propoxyethanimidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-propoxyethanimidamide (CID 107940791) is N-amino-N'-cyclopentyl-2-propoxyethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-propoxyethanimidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-propoxyethanimidamide is CCCOC/C(=N\C1CCCC1)NN.
What is the InChIKey of N-amino-N'-cyclopentyl-2-propoxyethanimidamide?
The InChIKey is XORNHZIOWNMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-7-14-8-10(13-11)12-9-5-3-4-6-9/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of N-amino-N'-cyclopentyl-2-propoxyethanimidamide?
N-amino-N'-cyclopentyl-2-propoxyethanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-propoxyethanimidamide is sourced from PubChem (CID 107940791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).