N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide

C13H27N3O — CID 62362799

IUPACN'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C13H27N3O/c1-4-8-17-12-6-5-7-16(10-12)13(14)15-9-11(2)3/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyRCDUEFUHLGYRKP-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.85
Rot. Bonds5

About N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide

N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide (PubChem CID 62362799) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
PubChem CID62362799
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C13H27N3O/c1-4-8-17-12-6-5-7-16(10-12)13(14)15-9-11(2)3/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyRCDUEFUHLGYRKP-UHFFFAOYSA-N
XLogP1.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.85
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

3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
CID 76926875
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 62362323
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
3,4-dimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 63605677
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide (CID 62362799) is N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide is CCCOC1CCCN(/C(N)=N/CC(C)C)C1.
What is the InChIKey of N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide?
The InChIKey is RCDUEFUHLGYRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-8-17-12-6-5-7-16(10-12)13(14)15-9-11(2)3/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide?
N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide is sourced from PubChem (CID 62362799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).