3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine

C17H30N4 — CID 67694367

IUPAC3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine
SMILESCCN(CC1CCNCC1)C1=NC=CC/C1=N\C(C)(C)C
InChIInChI=1S/C17H30N4/c1-5-21(13-14-8-11-18-12-9-14)16-15(7-6-10-19-16)20-17(2,3)4/h6,10,14,18H,5,7-9,11-13H2,1-4H3/b20-15+
InChIKeyOTNNYARUEHFCBQ-HMMYKYKNSA-N
MW290.45 g/mol
LogP2.86
Rot. Bonds3

About 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine

3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine (PubChem CID 67694367) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine.

Molecular Properties

Compound Name3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine
PubChem CID67694367
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine
SMILESCCN(CC1CCNCC1)C1=NC=CC/C1=N\C(C)(C)C
InChIInChI=1S/C17H30N4/c1-5-21(13-14-8-11-18-12-9-14)16-15(7-6-10-19-16)20-17(2,3)4/h6,10,14,18H,5,7-9,11-13H2,1-4H3/b20-15+
InChIKeyOTNNYARUEHFCBQ-HMMYKYKNSA-N
XLogP2.86
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide
CID 129095363
1-(3-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 142349480
1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine
CID 170237194

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine?
The IUPAC name of 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine (CID 67694367) is 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine.
What is the SMILES notation for 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine?
The canonical SMILES for 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine is CCN(CC1CCNCC1)C1=NC=CC/C1=N\C(C)(C)C.
What is the InChIKey of 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine?
The InChIKey is OTNNYARUEHFCBQ-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-21(13-14-8-11-18-12-9-14)16-15(7-6-10-19-16)20-17(2,3)4/h6,10,14,18H,5,7-9,11-13H2,1-4H3/b20-15+.
What are the key properties of 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine?
3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine has a molecular weight of 290.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine is sourced from PubChem (CID 67694367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).