N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide

C13H25N3 — CID 111154391

IUPACN-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1CC1)N1CC(C)CC(C)C1
InChIInChI=1S/C13H25N3/c1-10-6-11(2)9-16(8-10)13(14-3)15-7-12-4-5-12/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyWYHYFGXROPDZQL-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.95
Rot. Bonds2

About N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide

N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide (PubChem CID 111154391) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
PubChem CID111154391
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1CC1)N1CC(C)CC(C)C1
InChIInChI=1S/C13H25N3/c1-10-6-11(2)9-16(8-10)13(14-3)15-7-12-4-5-12/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyWYHYFGXROPDZQL-UHFFFAOYSA-N
XLogP1.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153173
N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153844
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111153437
N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide
CID 111153539
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744010
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111153879
N',3,5-trimethyl-N-(2-methylcyclopropyl)piperidine-1-carboximidamide
CID 111153377
N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153374
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443212
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153878

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
The IUPAC name of N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide (CID 111154391) is N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide is C/N=C(\NCC1CC1)N1CC(C)CC(C)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
The InChIKey is WYHYFGXROPDZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10-6-11(2)9-16(8-10)13(14-3)15-7-12-4-5-12/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide has a molecular weight of 223.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111154391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).