2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide

C10H21N3 — CID 130787512

IUPAC2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N3/c1-8(2)13-5-3-9(4-6-13)7-10(11)12/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyJCUAQKFZLBVSIR-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.43
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide

2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide (PubChem CID 130787512) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
PubChem CID130787512
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N3/c1-8(2)13-5-3-9(4-6-13)7-10(11)12/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyJCUAQKFZLBVSIR-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 60914180
2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide
CID 59741621
3-[3-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 112625795
3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 64599754
tert-butyl 4-(2-amino-2-iminoethyl)piperidine-1-carboxylate
CID 58257491
2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide
CID 131223529
2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
acetyl 4-(2-amino-2-iminoethyl)azepane-1-carboxylate
CID 87290176
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 176546861
3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride
CID 117266527
2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide
CID 157267136

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide (CID 130787512) is 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide is [H]/N=C(\N)CC1CCN(C(C)C)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide?
The InChIKey is JCUAQKFZLBVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(2)13-5-3-9(4-6-13)7-10(11)12/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide?
2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 130787512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).