N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide

C13H26N4O — CID 102972034

IUPACN-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(=N/C2CCCC2)NN)CCC1C
InChIInChI=1S/C13H26N4O/c1-10-7-8-17(9-12(10)18-2)13(16-14)15-11-5-3-4-6-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyDMUGVKSGPYVBNK-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.11
Rot. Bonds2

About N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide

N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102972034) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102972034
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(=N/C2CCCC2)NN)CCC1C
InChIInChI=1S/C13H26N4O/c1-10-7-8-17(9-12(10)18-2)13(16-14)15-11-5-3-4-6-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyDMUGVKSGPYVBNK-UHFFFAOYSA-N
XLogP1.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopentyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746789
N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963250
N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963256
3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102963262
N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972023
N-amino-N'-cyclohexyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972024
N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 102972025
N-amino-3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
CID 102972026
N-amino-3-methoxy-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 102972028
N-amino-3-methoxy-N'-(2-methoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 102972029
N-amino-N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972030
N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972031

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102972034) is N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide is COC1CN(/C(=N/C2CCCC2)NN)CCC1C.
What is the InChIKey of N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is DMUGVKSGPYVBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10-7-8-17(9-12(10)18-2)13(16-14)15-11-5-3-4-6-11/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102972034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).