N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide

C14H28N4O — CID 104931979

IUPACN'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESCN1CCC(CCNCC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C14H28N4O/c1-18-8-3-12(4-9-18)2-7-16-11-14(5-6-14)10-13(15)17-19/h12,16,19H,2-11H2,1H3,(H2,15,17)
InChIKeyPFXQJPHAWAABJL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.22
Rot. Bonds7

About N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 104931979) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID104931979
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESCN1CCC(CCNCC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C14H28N4O/c1-18-8-3-12(4-9-18)2-7-16-11-14(5-6-14)10-13(15)17-19/h12,16,19H,2-11H2,1H3,(H2,15,17)
InChIKeyPFXQJPHAWAABJL-UHFFFAOYSA-N
XLogP1.22
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
CID 104931982
2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071018
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 82943580
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115244179
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine
CID 115256999
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
N'-hydroxy-2-[1-[(2,2,3-trimethylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 114100375

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide (CID 104931979) is N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide is CN1CCC(CCNCC2(CC(N)=NO)CC2)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is PFXQJPHAWAABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-18-8-3-12(4-9-18)2-7-16-11-14(5-6-14)10-13(15)17-19/h12,16,19H,2-11H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 268.40 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 104931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).