N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide

C13H28N4 — CID 103504878

IUPACN-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N4/c1-4-5-8-15-13(16-14)17-9-6-12(7-10-17)11(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyGSCNNMRAYCULCE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.97
Rot. Bonds4

About N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide

N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 103504878) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide
PubChem CID103504878
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N4/c1-4-5-8-15-13(16-14)17-9-6-12(7-10-17)11(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyGSCNNMRAYCULCE-UHFFFAOYSA-N
XLogP1.97
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882318
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887070
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887095
N-amino-N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887096
N-amino-N'-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887100
N-amino-N'-(2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887101
N-amino-N'-butyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 113531077
N-amino-N'-butyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 113531083

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide (CID 103504878) is N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide is CCCC/N=C(\NN)N1CCC(C(C)C)CC1.
What is the InChIKey of N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is GSCNNMRAYCULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-5-8-15-13(16-14)17-9-6-12(7-10-17)11(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide?
N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 240.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 103504878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).