N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine

C17H26N4 — CID 114460782

IUPACN-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)C1=CCN(c2cncc(CNC3CC3)n2)CC1
InChIInChI=1S/C17H26N4/c1-17(2,3)13-6-8-21(9-7-13)16-12-18-10-15(20-16)11-19-14-4-5-14/h6,10,12,14,19H,4-5,7-9,11H2,1-3H3
InChIKeyVVXVSIGJUMBZCC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds4

About N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 114460782) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID114460782
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)C1=CCN(c2cncc(CNC3CC3)n2)CC1
InChIInChI=1S/C17H26N4/c1-17(2,3)13-6-8-21(9-7-13)16-12-18-10-15(20-16)11-19-14-4-5-14/h6,10,12,14,19H,4-5,7-9,11H2,1-3H3
InChIKeyVVXVSIGJUMBZCC-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 114490584
N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114460779
N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66457839
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 115562086
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 114460734
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 114490536
N-[[6-(2,3-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66457927
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449156
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66449579
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 114412543
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66449573

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine (CID 114460782) is N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine is CC(C)(C)C1=CCN(c2cncc(CNC3CC3)n2)CC1.
What is the InChIKey of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is VVXVSIGJUMBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-17(2,3)13-6-8-21(9-7-13)16-12-18-10-15(20-16)11-19-14-4-5-14/h6,10,12,14,19H,4-5,7-9,11H2,1-3H3.
What are the key properties of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114460782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).