2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H27N3O — CID 77070930

IUPAC2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCC1CC(C)CC(NCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C14H27N3O/c1-10-5-11(2)7-12(6-10)16-9-14(3-4-14)8-13(15)17-18/h10-12,16,18H,3-9H2,1-2H3,(H2,15,17)
InChIKeyOBIGZVMDEZZFMS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.32
Rot. Bonds5

About 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070930) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070930
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCC1CC(C)CC(NCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C14H27N3O/c1-10-5-11(2)7-12(6-10)16-9-14(3-4-14)8-13(15)17-18/h10-12,16,18H,3-9H2,1-2H3,(H2,15,17)
InChIKeyOBIGZVMDEZZFMS-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.32
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-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide
CID 104861552
N'-hydroxy-2-[1-[[(4-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071817
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
2-[1-[(4-ethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070600
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
2-[1-[(but-3-yn-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104921685
2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070656
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
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071022

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070930) is 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CC1CC(C)CC(NCC2(CC(N)=NO)CC2)C1.
What is the InChIKey of 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is OBIGZVMDEZZFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-5-11(2)7-12(6-10)16-9-14(3-4-14)8-13(15)17-18/h10-12,16,18H,3-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 253.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).