N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide

C10H22N4O — CID 102972044

IUPACN-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOC1CCCN(/C(=N/C(C)C)NN)C1
InChIInChI=1S/C10H22N4O/c1-8(2)12-10(13-11)14-6-4-5-9(7-14)15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyLJLNCIUFJVEPQA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.32
Rot. Bonds2

About N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide

N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 102972044) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
PubChem CID102972044
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOC1CCCN(/C(=N/C(C)C)NN)C1
InChIInChI=1S/C10H22N4O/c1-8(2)12-10(13-11)14-6-4-5-9(7-14)15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyLJLNCIUFJVEPQA-UHFFFAOYSA-N
XLogP0.32
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.32
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'-propan-2-yl-3-propoxypiperidine-1-carboximidamide
CID 62362577
3-ethoxy-N'-propan-2-ylpiperidine-1-carboximidamide
CID 62363015
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 64868386
N'-amino-3-propoxypiperidine-1-carboximidamide
CID 77053958
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 77053959
N'-amino-3-methoxypiperidine-1-carboximidamide
CID 102963275
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
3-methoxy-N'-propylpiperidine-1-carboximidamide
CID 102963279
N'-cyclopentyl-3-methoxypiperidine-1-carboximidamide
CID 102963280
3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102963282
N'-ethyl-3-methoxypiperidine-1-carboximidamide
CID 102963284
3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102963286

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide (CID 102972044) is N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide is COC1CCCN(/C(=N/C(C)C)NN)C1.
What is the InChIKey of N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is LJLNCIUFJVEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(2)12-10(13-11)14-6-4-5-9(7-14)15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 102972044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).