2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide

C17H34N4 — CID 65258334

IUPAC2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H34N4/c1-17(2,16(18)19)8-5-11-20-12-6-15(7-13-20)14-21-9-3-4-10-21/h15H,3-14H2,1-2H3,(H3,18,19)
InChIKeyXTXQRELXFFKHES-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.54
Rot. Bonds7

About 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide

2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide (PubChem CID 65258334) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
PubChem CID65258334
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H34N4/c1-17(2,16(18)19)8-5-11-20-12-6-15(7-13-20)14-21-9-3-4-10-21/h15H,3-14H2,1-2H3,(H3,18,19)
InChIKeyXTXQRELXFFKHES-UHFFFAOYSA-N
XLogP2.54
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide (CID 65258334) is 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is XTXQRELXFFKHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-17(2,16(18)19)8-5-11-20-12-6-15(7-13-20)14-21-9-3-4-10-21/h15H,3-14H2,1-2H3,(H3,18,19).
What are the key properties of 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide?
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 294.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide is sourced from PubChem (CID 65258334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).