N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide

C14H29N3 — CID 134399763

IUPACN'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCCCC(C)/N=C(\N)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H29N3/c1-5-6-12(4)16-14(15)17-9-7-13(8-10-17)11(2)3/h11-13H,5-10H2,1-4H3,(H2,15,16)
InChIKeyKJHHLZNQHXMCTR-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.86
Rot. Bonds4

About N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide

N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 134399763) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide
PubChem CID134399763
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCCCC(C)/N=C(\N)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H29N3/c1-5-6-12(4)16-14(15)17-9-7-13(8-10-17)11(2)3/h11-13H,5-10H2,1-4H3,(H2,15,16)
InChIKeyKJHHLZNQHXMCTR-UHFFFAOYSA-N
XLogP2.86
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide (CID 134399763) is N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide is CCCC(C)/N=C(\N)N1CCC(C(C)C)CC1.
What is the InChIKey of N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is KJHHLZNQHXMCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-6-12(4)16-14(15)17-9-7-13(8-10-17)11(2)3/h11-13H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide?
N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 239.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 134399763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).