N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide

C11H23N3O — CID 77071012

IUPACN'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
SMILESCCC(C)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O/c1-3-9(2)7-13-8-11(4-5-11)6-10(12)14-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyBCLLXOJNIYKPNC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.54
Rot. Bonds7

About N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071012) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77071012
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
SMILESCCC(C)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O/c1-3-9(2)7-13-8-11(4-5-11)6-10(12)14-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyBCLLXOJNIYKPNC-UHFFFAOYSA-N
XLogP1.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.54
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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Related Compounds

2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N'-hydroxy-2-[1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071263
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
N'-hydroxy-2-[1-[(2,2,3-trimethylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 114100375
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 113410658
2-[1-[[butan-2-yl(methyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071512
N'-hydroxy-2-[1-[(1-hydroxypentan-3-ylamino)methyl]cyclopropyl]ethanimidamide
CID 104867238
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide (CID 77071012) is N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide is CCC(C)CNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is BCLLXOJNIYKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-9(2)7-13-8-11(4-5-11)6-10(12)14-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).