2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H29N5O — CID 77071581

IUPAC2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCN(C)CCN1CCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C14H29N5O/c1-17(2)5-6-18-7-9-19(10-8-18)12-14(3-4-14)11-13(15)16-20/h20H,3-12H2,1-2H3,(H2,15,16)
InChIKeyVLHHJXQEOHZALK-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.08
Rot. Bonds7

About 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071581) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071581
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCN(C)CCN1CCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C14H29N5O/c1-17(2)5-6-18-7-9-19(10-8-18)12-14(3-4-14)11-13(15)16-20/h20H,3-12H2,1-2H3,(H2,15,16)
InChIKeyVLHHJXQEOHZALK-UHFFFAOYSA-N
XLogP0.08
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071646
N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
CID 66370671
2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77070723
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107028807
N'-hydroxy-2-[methyl(2-morpholin-4-ylethyl)amino]ethanimidamide
CID 76929225
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
CID 113399250
N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071383
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498524

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071581) is 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CN(C)CCN1CCN(CC2(CC(N)=NO)CC2)CC1.
What is the InChIKey of 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is VLHHJXQEOHZALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-17(2)5-6-18-7-9-19(10-8-18)12-14(3-4-14)11-13(15)16-20/h20H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 283.42 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).