N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide

C9H19N3 — CID 63173412

IUPACN'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-8(10)11-7-9-3-5-12(2)6-4-9/h9H,3-7H2,1-2H3,(H2,10,11)
InChIKeyQMHBEPINEMNIEZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.71
Rot. Bonds2

About N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide

N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide (PubChem CID 63173412) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
PubChem CID63173412
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-8(10)11-7-9-3-5-12(2)6-4-9/h9H,3-7H2,1-2H3,(H2,10,11)
InChIKeyQMHBEPINEMNIEZ-UHFFFAOYSA-N
XLogP0.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
CID 63178163
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110927538
4-[(aminodiazenyl)methyl]-1-methylpiperidine
CID 90208840
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide
CID 131041454
N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide
CID 131041453

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide?
The IUPAC name of N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide (CID 63173412) is N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide is C/C(N)=N\CC1CCN(C)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide?
The InChIKey is QMHBEPINEMNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(10)11-7-9-3-5-12(2)6-4-9/h9H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide?
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide is sourced from PubChem (CID 63173412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).