2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H29N3O — CID 77071785

IUPAC2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC(CC)CN(CC)CC1(CC(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-4-12(5-2)10-17(6-3)11-14(7-8-14)9-13(15)16-18/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyYOQWOJZBDNFSCQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.66
Rot. Bonds9

About 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071785) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071785
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC(CC)CN(CC)CC1(CC(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-4-12(5-2)10-17(6-3)11-14(7-8-14)9-13(15)16-18/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyYOQWOJZBDNFSCQ-UHFFFAOYSA-N
XLogP2.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.66
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-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071785) is 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCC(CC)CN(CC)CC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is YOQWOJZBDNFSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12(5-2)10-17(6-3)11-14(7-8-14)9-13(15)16-18/h12,18H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).