N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide

C14H27N3 — CID 122096308

IUPACN'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide
SMILESC=CCC(C)(C)C/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C14H27N3/c1-5-8-14(3,4)11-16-13(15)17-9-6-7-12(2)10-17/h5,12H,1,6-11H2,2-4H3,(H2,15,16)
InChIKeyMFWTXRWLIKOZIQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.64
Rot. Bonds4

About N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide

N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 122096308) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide
PubChem CID122096308
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide
SMILESC=CCC(C)(C)C/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C14H27N3/c1-5-8-14(3,4)11-16-13(15)17-9-6-7-12(2)10-17/h5,12H,1,6-11H2,2-4H3,(H2,15,16)
InChIKeyMFWTXRWLIKOZIQ-UHFFFAOYSA-N
XLogP2.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.64
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide (CID 122096308) is N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide is C=CCC(C)(C)C/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is MFWTXRWLIKOZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-14(3,4)11-16-13(15)17-9-6-7-12(2)10-17/h5,12H,1,6-11H2,2-4H3,(H2,15,16).
What are the key properties of N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide?
N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpent-4-enyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 122096308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).