3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide

C13H23N3 — CID 120679758

IUPAC3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide
SMILESC#CC(/N=C(\N)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C13H23N3/c1-5-12(10(2)3)15-13(14)16-8-6-7-11(4)9-16/h1,10-12H,6-9H2,2-4H3,(H2,14,15)
InChIKeyDPHSNHVIEPEAOZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.69
Rot. Bonds2

About 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide

3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide (PubChem CID 120679758) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide
PubChem CID120679758
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide
SMILESC#CC(/N=C(\N)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C13H23N3/c1-5-12(10(2)3)15-13(14)16-8-6-7-11(4)9-16/h1,10-12H,6-9H2,2-4H3,(H2,14,15)
InChIKeyDPHSNHVIEPEAOZ-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.69
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide (CID 120679758) is 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide is C#CC(/N=C(\N)N1CCCC(C)C1)C(C)C.
What is the InChIKey of 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide?
The InChIKey is DPHSNHVIEPEAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12(10(2)3)15-13(14)16-8-6-7-11(4)9-16/h1,10-12H,6-9H2,2-4H3,(H2,14,15).
What are the key properties of 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide?
3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide has a molecular weight of 221.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 120679758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).