N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide

C13H28N4O — CID 103504870

IUPACN-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-11(2)12-5-8-17(9-6-12)13(16-14)15-7-4-10-18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyKIOJDCGCFYNIOI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.21
Rot. Bonds5

About N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide

N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 103504870) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
PubChem CID103504870
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-11(2)12-5-8-17(9-6-12)13(16-14)15-7-4-10-18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyKIOJDCGCFYNIOI-UHFFFAOYSA-N
XLogP1.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887072
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-methoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887098
N-amino-N'-(2-methoxyethyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887102
N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 102972025
N-amino-N'-(2-methylpropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504868
N-amino-N',4-di(propan-2-yl)piperidine-1-carboximidamide
CID 103504871
N-amino-N'-methyl-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504872
N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide
CID 103504874
N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504876

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide (CID 103504870) is N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide is COCCC/N=C(\NN)N1CCC(C(C)C)CC1.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is KIOJDCGCFYNIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(2)12-5-8-17(9-6-12)13(16-14)15-7-4-10-18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 256.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 103504870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).