N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide

C14H27N3O2 — CID 77104705

IUPACN'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCCCC2CO)CC1)=NO
InChIInChI=1S/C14H27N3O2/c15-13(17-19)7-14(5-6-14)10-16-8-11-3-1-2-4-12(11)9-18/h11-12,16,18-19H,1-10H2,(H2,15,17)
InChIKeyGENOOMGXELSULK-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds7

About N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77104705) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID77104705
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC2CCCCC2CO)CC1)=NO
InChIInChI=1S/C14H27N3O2/c15-13(17-19)7-14(5-6-14)10-16-8-11-3-1-2-4-12(11)9-18/h11-12,16,18-19H,1-10H2,(H2,15,17)
InChIKeyGENOOMGXELSULK-UHFFFAOYSA-N
XLogP1.29
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide (CID 77104705) is N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCC2CCCCC2CO)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is GENOOMGXELSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-13(17-19)7-14(5-6-14)10-16-8-11-3-1-2-4-12(11)9-18/h11-12,16,18-19H,1-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 269.39 g/mol, XLogP of 1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77104705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).