N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide

C12H26N4 — CID 103504874

IUPACN-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H26N4/c1-4-7-14-12(15-13)16-8-5-11(6-9-16)10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyGCIQRMBVTJZCNZ-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.58
Rot. Bonds3

About N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide

N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide (PubChem CID 103504874) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide
PubChem CID103504874
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H26N4/c1-4-7-14-12(15-13)16-8-5-11(6-9-16)10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyGCIQRMBVTJZCNZ-UHFFFAOYSA-N
XLogP1.58
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-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-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide (CID 103504874) is N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\NN)N1CCC(C(C)C)CC1.
What is the InChIKey of N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide?
The InChIKey is GCIQRMBVTJZCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-7-14-12(15-13)16-8-5-11(6-9-16)10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide?
N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 103504874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).