2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H26N4O — CID 77071440

IUPAC2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CC)CCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-3-16(4-2)8-7-14-10-12(5-6-12)9-11(13)15-17/h14,17H,3-10H2,1-2H3,(H2,13,15)
InChIKeyRAGVYUJNFIPBJC-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.83
Rot. Bonds9

About 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071440) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071440
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CC)CCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-3-16(4-2)8-7-14-10-12(5-6-12)9-11(13)15-17/h14,17H,3-10H2,1-2H3,(H2,13,15)
InChIKeyRAGVYUJNFIPBJC-UHFFFAOYSA-N
XLogP0.83
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104861779
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 82943580
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071785
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071440) is 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCN(CC)CCNCC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is RAGVYUJNFIPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-16(4-2)8-7-14-10-12(5-6-12)9-11(13)15-17/h14,17H,3-10H2,1-2H3,(H2,13,15).
What are the key properties of 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).