2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H25N3O — CID 77070622

IUPAC2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCC(C)C(C)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)10(3)7-14-8-12(4-5-12)6-11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyNDMOALHRMLQWIZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.78
Rot. Bonds7

About 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070622) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070622
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCC(C)C(C)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)10(3)7-14-8-12(4-5-12)6-11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyNDMOALHRMLQWIZ-UHFFFAOYSA-N
XLogP1.78
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.78
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

N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N'-hydroxy-2-[1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071263
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
CID 115453904
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
N'-hydroxy-2-[1-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 79250305
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818
3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 113410658
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
2-[1-[(but-3-yn-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104921685

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070622) is 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CC(C)C(C)CNCC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is NDMOALHRMLQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)10(3)7-14-8-12(4-5-12)6-11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).